2-[benzyl(methylsulfonyl)amino]-N-phenylbenzamide

C21H20N2O3S — CID 1106248

IUPAC2-[benzyl(methylsulfonyl)amino]-N-phenylbenzamide
SMILESCS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C21H20N2O3S/c1-27(25,26)23(16-17-10-4-2-5-11-17)20-15-9-8-14-19(20)21(24)22-18-12-6-3-7-13-18/h2-15H,16H2,1H3,(H,22,24)
InChIKeyGZTAZMVPDMRJHQ-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.91
Rot. Bonds6

About 2-[benzyl(methylsulfonyl)amino]-N-phenylbenzamide

2-[benzyl(methylsulfonyl)amino]-N-phenylbenzamide (PubChem CID 1106248) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is 2-[benzyl(methylsulfonyl)amino]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[benzyl(methylsulfonyl)amino]-N-phenylbenzamide
PubChem CID1106248
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC Name2-[benzyl(methylsulfonyl)amino]-N-phenylbenzamide
SMILESCS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C21H20N2O3S/c1-27(25,26)23(16-17-10-4-2-5-11-17)20-15-9-8-14-19(20)21(24)22-18-12-6-3-7-13-18/h2-15H,16H2,1H3,(H,22,24)
InChIKeyGZTAZMVPDMRJHQ-UHFFFAOYSA-N
XLogP3.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-2-[benzyl(methylsulfonyl)amino]benzamide
CID 1361093
2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)benzamide
CID 1106259
2-[benzyl(methylsulfonyl)amino]-N-(3-chloro-4-methylphenyl)benzamide
CID 1107749
2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethoxyphenyl)benzamide
CID 1107755
N-[(Z)-1-(3-benzamidophenyl)ethylideneamino]-2-[benzyl(methylsulfonyl)amino]benzamide
CID 98123917
2-[benzyl(methylsulfonyl)amino]-N-(2-ethoxyphenyl)benzamide
CID 1107753
2-[benzyl(methylsulfonyl)amino]-N-cyclopropylbenzamide
CID 53280424
2-[benzyl(methylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)benzamide
CID 1298465
N-[1-(4-acetamidophenyl)ethylideneamino]-2-[benzyl(methylsulfonyl)amino]benzamide
CID 1278302
2-[benzyl(methylsulfonyl)amino]-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 100568901
N-benzyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide
CID 1361405
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 982875

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-phenylbenzamide?
The IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-phenylbenzamide (CID 1106248) is 2-[benzyl(methylsulfonyl)amino]-N-phenylbenzamide.
What is the SMILES notation for 2-[benzyl(methylsulfonyl)amino]-N-phenylbenzamide?
The canonical SMILES for 2-[benzyl(methylsulfonyl)amino]-N-phenylbenzamide is CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-[benzyl(methylsulfonyl)amino]-N-phenylbenzamide?
The InChIKey is GZTAZMVPDMRJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-27(25,26)23(16-17-10-4-2-5-11-17)20-15-9-8-14-19(20)21(24)22-18-12-6-3-7-13-18/h2-15H,16H2,1H3,(H,22,24).
What are the key properties of 2-[benzyl(methylsulfonyl)amino]-N-phenylbenzamide?
2-[benzyl(methylsulfonyl)amino]-N-phenylbenzamide has a molecular weight of 380.47 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methylsulfonyl)amino]-N-phenylbenzamide is sourced from PubChem (CID 1106248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).