2-chloro-N,N-dimethyl-5-[(4-methylsulfanylbenzoyl)amino]benzamide

C17H17ClN2O2S — CID 86983037

IUPAC2-chloro-N,N-dimethyl-5-[(4-methylsulfanylbenzoyl)amino]benzamide
SMILESCSc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)N(C)C)c2)cc1
InChIInChI=1S/C17H17ClN2O2S/c1-20(2)17(22)14-10-12(6-9-15(14)18)19-16(21)11-4-7-13(23-3)8-5-11/h4-10H,1-3H3,(H,19,21)
InChIKeyIWOUGQVBWVQWCM-UHFFFAOYSA-N
MW348.86 g/mol
LogP4.02
Rot. Bonds4

About 2-chloro-N,N-dimethyl-5-[(4-methylsulfanylbenzoyl)amino]benzamide

2-chloro-N,N-dimethyl-5-[(4-methylsulfanylbenzoyl)amino]benzamide (PubChem CID 86983037) has the molecular formula C17H17ClN2O2S and a molecular weight of 348.86 g/mol. Its IUPAC name is 2-chloro-N,N-dimethyl-5-[(4-methylsulfanylbenzoyl)amino]benzamide.

Molecular Properties

Compound Name2-chloro-N,N-dimethyl-5-[(4-methylsulfanylbenzoyl)amino]benzamide
PubChem CID86983037
Molecular FormulaC17H17ClN2O2S
Molecular Weight348.86 g/mol
Exact Mass348.07
IUPAC Name2-chloro-N,N-dimethyl-5-[(4-methylsulfanylbenzoyl)amino]benzamide
SMILESCSc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)N(C)C)c2)cc1
InChIInChI=1S/C17H17ClN2O2S/c1-20(2)17(22)14-10-12(6-9-15(14)18)19-16(21)11-4-7-13(23-3)8-5-11/h4-10H,1-3H3,(H,19,21)
InChIKeyIWOUGQVBWVQWCM-UHFFFAOYSA-N
XLogP4.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.86
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-[(4-methylsulfanylbenzoyl)amino]benzoic acid
CID 60748503
N-(3-amino-4-chlorophenyl)-4-methylsulfanylbenzamide
CID 78984406
2-chloro-5-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]-N,N-dimethylbenzamide
CID 55675331
2-chloro-5-[(3,5-dimethoxybenzoyl)amino]-N,N-dimethylbenzamide
CID 55674801
2-hydroxy-5-[(4-methylsulfanylbenzoyl)amino]benzoic acid
CID 43353119
4-chloro-3-[(2-chloro-5-methylsulfanylbenzoyl)amino]-N,N-dimethylbenzamide
CID 38957688
N-ethyl-4-[(4-methylsulfanylbenzoyl)amino]benzamide
CID 78892378
4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide
CID 9403388
N-(3-bromo-4-fluorophenyl)-4-methylsulfanylbenzamide
CID 113245194
5-[(2-amino-2-ethylbutanoyl)amino]-2-chloro-N,N-dimethylbenzamide
CID 79813790
3-bromo-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 60778293
4-chloro-3-[methoxy(methyl)sulfamoyl]-N-(4-methylsulfanylphenyl)benzamide
CID 27365356

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dimethyl-5-[(4-methylsulfanylbenzoyl)amino]benzamide?
The IUPAC name of 2-chloro-N,N-dimethyl-5-[(4-methylsulfanylbenzoyl)amino]benzamide (CID 86983037) is 2-chloro-N,N-dimethyl-5-[(4-methylsulfanylbenzoyl)amino]benzamide.
What is the SMILES notation for 2-chloro-N,N-dimethyl-5-[(4-methylsulfanylbenzoyl)amino]benzamide?
The canonical SMILES for 2-chloro-N,N-dimethyl-5-[(4-methylsulfanylbenzoyl)amino]benzamide is CSc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)N(C)C)c2)cc1.
What is the InChIKey of 2-chloro-N,N-dimethyl-5-[(4-methylsulfanylbenzoyl)amino]benzamide?
The InChIKey is IWOUGQVBWVQWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2S/c1-20(2)17(22)14-10-12(6-9-15(14)18)19-16(21)11-4-7-13(23-3)8-5-11/h4-10H,1-3H3,(H,19,21).
What are the key properties of 2-chloro-N,N-dimethyl-5-[(4-methylsulfanylbenzoyl)amino]benzamide?
2-chloro-N,N-dimethyl-5-[(4-methylsulfanylbenzoyl)amino]benzamide has a molecular weight of 348.86 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dimethyl-5-[(4-methylsulfanylbenzoyl)amino]benzamide is sourced from PubChem (CID 86983037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).