4-[methyl(phenyl)sulfamoyl]-N-propylbenzamide

C17H20N2O3S — CID 2432115

IUPAC4-[methyl(phenyl)sulfamoyl]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C17H20N2O3S/c1-3-13-18-17(20)14-9-11-16(12-10-14)23(21,22)19(2)15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3,(H,18,20)
InChIKeyXIIWOHOGKWYGQL-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.65
Rot. Bonds6

About 4-[methyl(phenyl)sulfamoyl]-N-propylbenzamide

4-[methyl(phenyl)sulfamoyl]-N-propylbenzamide (PubChem CID 2432115) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 4-[methyl(phenyl)sulfamoyl]-N-propylbenzamide.

Molecular Properties

Compound Name4-[methyl(phenyl)sulfamoyl]-N-propylbenzamide
PubChem CID2432115
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name4-[methyl(phenyl)sulfamoyl]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C17H20N2O3S/c1-3-13-18-17(20)14-9-11-16(12-10-14)23(21,22)19(2)15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3,(H,18,20)
InChIKeyXIIWOHOGKWYGQL-UHFFFAOYSA-N
XLogP2.65
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[benzenesulfonyl(methyl)amino]-N-butylbenzamide
CID 2193999
5-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]pentanoic acid
CID 119234171
4-[methyl(phenyl)sulfamoyl]-N-(4-phenylbutyl)benzamide
CID 18207252
2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]ethyl-di(propan-2-yl)azanium
CID 8919272
4-[methyl(phenyl)sulfamoyl]-N-(2-pyridin-2-ylethyl)benzamide
CID 51164053
N-(2-amino-2-methylpropyl)-4-[methyl(phenyl)sulfamoyl]benzamide;hydrochloride
CID 119628528
4-[methyl(phenyl)sulfamoyl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 46564955
N-[(4-methylphenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 4801142
4-[[N-(benzenesulfonyl)anilino]methyl]-N-propylbenzamide
CID 4239264
4-[methyl(methylsulfonyl)amino]-N-propylbenzamide
CID 53279666
4-[benzyl(propan-2-yl)sulfamoyl]-N-propylbenzamide
CID 109057880
4-[benzenesulfonyl(methyl)amino]-N-(2-tert-butylsulfanylethyl)benzamide
CID 2290586

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(phenyl)sulfamoyl]-N-propylbenzamide?
The IUPAC name of 4-[methyl(phenyl)sulfamoyl]-N-propylbenzamide (CID 2432115) is 4-[methyl(phenyl)sulfamoyl]-N-propylbenzamide.
What is the SMILES notation for 4-[methyl(phenyl)sulfamoyl]-N-propylbenzamide?
The canonical SMILES for 4-[methyl(phenyl)sulfamoyl]-N-propylbenzamide is CCCNC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1.
What is the InChIKey of 4-[methyl(phenyl)sulfamoyl]-N-propylbenzamide?
The InChIKey is XIIWOHOGKWYGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-3-13-18-17(20)14-9-11-16(12-10-14)23(21,22)19(2)15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3,(H,18,20).
What are the key properties of 4-[methyl(phenyl)sulfamoyl]-N-propylbenzamide?
4-[methyl(phenyl)sulfamoyl]-N-propylbenzamide has a molecular weight of 332.43 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(phenyl)sulfamoyl]-N-propylbenzamide is sourced from PubChem (CID 2432115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).