Compound Identification
SMILES
CCCN(CCC)C(=O)C1=CC(C)=CC(=C1)C(=O)N(C[C@H](O)CN[C@H]1CS(=O)(=O)CC2=C1C=C(CC)C=C2)CC1=CC(F)=CC(Cl)=C1
InChIKey
InChIKey=UMVSBSDMJQRRQH-CWTKIQHKSA-N
Formula
C36H45ClFN3O5S
Mass
686.28
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Toluenes
-
Level 5
Toluamides
-
Level 6
m-Toluamides
- Level 7 N,N-dialkyl-m-toluamides
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Level 6
m-Toluamides
-
Level 5
Toluamides
-
Subclass
Toluenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Toluenes
Intermediate Tree Nodes
Toluamides - m-Toluamides
Direct Parent
N,N-dialkyl-m-toluamides
Alternative Parents
Isothiochromanes 2-benzothiopyrans Benzamides Benzoyl derivatives Aralkylamines Fluorobenzenes Chlorobenzenes Aryl chlorides Aryl fluorides Tertiary carboxylic acid amides Sulfones Secondary alcohols 1,2-aminoalcohols Amino acids and derivatives Dialkylamines Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N,n-dialkyl-m-toluamide - Isothiochromane - Benzoic acid or derivatives - Benzamide - 2-benzothiopyran - Benzothiopyran - Benzoyl - Aralkylamine - Halobenzene - Chlorobenzene - Fluorobenzene - Aryl halide - Aryl chloride - Aryl fluoride - Tertiary carboxylic acid amide - Sulfone - Secondary alcohol - Amino acid or derivatives - Carboxamide group - 1,2-aminoalcohol - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Organofluoride - Organonitrogen compound - Organooxygen compound - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organochloride - Organic oxygen compound - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n,n-dialkyl-m-toluamides. These are aromatic that contain a m-toluamide, where the carboxamide group is N- substituted with two alkyl chains.
External Descriptors
Not available