4-[benzenesulfonyl(methyl)amino]-N-(2-propan-2-ylphenyl)benzamide

C23H24N2O3S — CID 126140576

IUPAC4-[benzenesulfonyl(methyl)amino]-N-(2-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H24N2O3S/c1-17(2)21-11-7-8-12-22(21)24-23(26)18-13-15-19(16-14-18)25(3)29(27,28)20-9-5-4-6-10-20/h4-17H,1-3H3,(H,24,26)
InChIKeyNRODIGCZDOTBLG-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.89
Rot. Bonds6

About 4-[benzenesulfonyl(methyl)amino]-N-(2-propan-2-ylphenyl)benzamide

4-[benzenesulfonyl(methyl)amino]-N-(2-propan-2-ylphenyl)benzamide (PubChem CID 126140576) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is 4-[benzenesulfonyl(methyl)amino]-N-(2-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name4-[benzenesulfonyl(methyl)amino]-N-(2-propan-2-ylphenyl)benzamide
PubChem CID126140576
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC Name4-[benzenesulfonyl(methyl)amino]-N-(2-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H24N2O3S/c1-17(2)21-11-7-8-12-22(21)24-23(26)18-13-15-19(16-14-18)25(3)29(27,28)20-9-5-4-6-10-20/h4-17H,1-3H3,(H,24,26)
InChIKeyNRODIGCZDOTBLG-UHFFFAOYSA-N
XLogP4.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzoic acid
CID 1339367
2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzamide
CID 17201011
2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-(2-methylpropyl)benzamide
CID 1317789
N-(2-hydroxyphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 18126261
2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-butan-2-ylbenzamide
CID 2943385
N-(2-propan-2-ylphenyl)benzamide
CID 723391
4-[benzenesulfonyl(methyl)amino]-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 100563895
N-(2-tert-butylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 7920184
4-[benzenesulfonyl(methyl)amino]-N-[(2S)-butan-2-yl]benzamide
CID 762069
4-(methylamino)-N-(2-propan-2-ylphenyl)benzamide
CID 62185459
4-[methyl(phenyl)sulfamoyl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 43952112
2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2-propan-2-ylphenyl)propanamide
CID 46634276

Frequently Asked Questions

What is the IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-(2-propan-2-ylphenyl)benzamide?
The IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-(2-propan-2-ylphenyl)benzamide (CID 126140576) is 4-[benzenesulfonyl(methyl)amino]-N-(2-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 4-[benzenesulfonyl(methyl)amino]-N-(2-propan-2-ylphenyl)benzamide?
The canonical SMILES for 4-[benzenesulfonyl(methyl)amino]-N-(2-propan-2-ylphenyl)benzamide is CC(C)c1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-[benzenesulfonyl(methyl)amino]-N-(2-propan-2-ylphenyl)benzamide?
The InChIKey is NRODIGCZDOTBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-17(2)21-11-7-8-12-22(21)24-23(26)18-13-15-19(16-14-18)25(3)29(27,28)20-9-5-4-6-10-20/h4-17H,1-3H3,(H,24,26).
What are the key properties of 4-[benzenesulfonyl(methyl)amino]-N-(2-propan-2-ylphenyl)benzamide?
4-[benzenesulfonyl(methyl)amino]-N-(2-propan-2-ylphenyl)benzamide has a molecular weight of 408.52 g/mol, XLogP of 4.89, 6 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-(2-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 126140576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).