4-[benzenesulfonyl(methyl)amino]-N-butylbenzamide

C18H22N2O3S — CID 2193999

IUPAC4-[benzenesulfonyl(methyl)amino]-N-butylbenzamide
SMILESCCCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C18H22N2O3S/c1-3-4-14-19-18(21)15-10-12-16(13-11-15)20(2)24(22,23)17-8-6-5-7-9-17/h5-13H,3-4,14H2,1-2H3,(H,19,21)
InChIKeyLIHDBTNCVNXBQU-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.04
Rot. Bonds7

About 4-[benzenesulfonyl(methyl)amino]-N-butylbenzamide

4-[benzenesulfonyl(methyl)amino]-N-butylbenzamide (PubChem CID 2193999) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 4-[benzenesulfonyl(methyl)amino]-N-butylbenzamide.

Molecular Properties

Compound Name4-[benzenesulfonyl(methyl)amino]-N-butylbenzamide
PubChem CID2193999
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name4-[benzenesulfonyl(methyl)amino]-N-butylbenzamide
SMILESCCCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C18H22N2O3S/c1-3-4-14-19-18(21)15-10-12-16(13-11-15)20(2)24(22,23)17-8-6-5-7-9-17/h5-13H,3-4,14H2,1-2H3,(H,19,21)
InChIKeyLIHDBTNCVNXBQU-UHFFFAOYSA-N
XLogP3.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[benzenesulfonyl(methyl)amino]-N-butylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[methyl(phenyl)sulfamoyl]-N-propylbenzamide
CID 2432115
5-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]pentanoic acid
CID 119234171
4-[methyl(phenyl)sulfamoyl]-N-(4-phenylbutyl)benzamide
CID 18207252
4-[benzenesulfonyl(methyl)amino]-N-[(2R)-pentan-2-yl]benzamide
CID 1296697
4-[benzenesulfonyl(methyl)amino]-N-(2-tert-butylsulfanylethyl)benzamide
CID 2290586
1-N-butyl-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109043733
4-[benzenesulfonyl(methyl)amino]-N-[(2S)-butan-2-yl]benzamide
CID 762069
4-[benzenesulfonyl(methyl)amino]-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 100563895
4-[benzenesulfonyl(methyl)amino]benzoic acid
CID 804306
2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]ethyl-di(propan-2-yl)azanium
CID 8919272
4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(3-methoxypropyl)benzamide
CID 2224678
N-hexyl-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 8886328

Frequently Asked Questions

What is the IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-butylbenzamide?
The IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-butylbenzamide (CID 2193999) is 4-[benzenesulfonyl(methyl)amino]-N-butylbenzamide.
What is the SMILES notation for 4-[benzenesulfonyl(methyl)amino]-N-butylbenzamide?
The canonical SMILES for 4-[benzenesulfonyl(methyl)amino]-N-butylbenzamide is CCCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-[benzenesulfonyl(methyl)amino]-N-butylbenzamide?
The InChIKey is LIHDBTNCVNXBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-3-4-14-19-18(21)15-10-12-16(13-11-15)20(2)24(22,23)17-8-6-5-7-9-17/h5-13H,3-4,14H2,1-2H3,(H,19,21).
What are the key properties of 4-[benzenesulfonyl(methyl)amino]-N-butylbenzamide?
4-[benzenesulfonyl(methyl)amino]-N-butylbenzamide has a molecular weight of 346.45 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzenesulfonyl(methyl)amino]-N-butylbenzamide is sourced from PubChem (CID 2193999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).