2-[benzyl(methylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)benzamide

C27H24N2O3S2 — CID 1298465

IUPAC2-[benzyl(methylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)benzamide
SMILESCS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C27H24N2O3S2/c1-34(31,32)29(20-21-12-4-2-5-13-21)25-18-10-8-16-23(25)27(30)28-24-17-9-11-19-26(24)33-22-14-6-3-7-15-22/h2-19H,20H2,1H3,(H,28,30)
InChIKeyGNNNPABKLJKUMX-UHFFFAOYSA-N
MW488.63 g/mol
LogP6.06
Rot. Bonds8

About 2-[benzyl(methylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)benzamide

2-[benzyl(methylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)benzamide (PubChem CID 1298465) has the molecular formula C27H24N2O3S2 and a molecular weight of 488.63 g/mol. Its IUPAC name is 2-[benzyl(methylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name2-[benzyl(methylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)benzamide
PubChem CID1298465
Molecular FormulaC27H24N2O3S2
Molecular Weight488.63 g/mol
Exact Mass488.12
IUPAC Name2-[benzyl(methylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)benzamide
SMILESCS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C27H24N2O3S2/c1-34(31,32)29(20-21-12-4-2-5-13-21)25-18-10-8-16-23(25)27(30)28-24-17-9-11-19-26(24)33-22-14-6-3-7-15-22/h2-19H,20H2,1H3,(H,28,30)
InChIKeyGNNNPABKLJKUMX-UHFFFAOYSA-N
XLogP6.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.63
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(methylsulfonyl)amino]-N-phenylbenzamide
CID 1106248
2-[benzyl(methylsulfonyl)amino]-N-(2-ethoxyphenyl)benzamide
CID 1107753
2-[benzenesulfonyl(benzyl)amino]-N-(2-methylphenyl)benzamide
CID 1097903
2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)benzamide
CID 1106259
N-(3-acetylphenyl)-2-[benzyl(methylsulfonyl)amino]benzamide
CID 1361093
2-[benzyl(methylsulfonyl)amino]-N-cyclopropylbenzamide
CID 53280424
4-[[N-(benzenesulfonyl)anilino]methyl]-N-(2-phenylsulfanylphenyl)benzamide
CID 126271468
2-[benzyl(methylsulfonyl)amino]-N-(3-chloro-4-methylphenyl)benzamide
CID 1107749
2-[benzyl(methylsulfonyl)amino]-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 100568901
2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethoxyphenyl)benzamide
CID 1107755
ethyl 2-[[2-[benzenesulfonyl(benzyl)amino]benzoyl]amino]benzoate
CID 1365080
4-(methylsulfonylmethyl)-N-(2-phenylsulfanylphenyl)benzamide
CID 51316561

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)benzamide?
The IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)benzamide (CID 1298465) is 2-[benzyl(methylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)benzamide.
What is the SMILES notation for 2-[benzyl(methylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)benzamide?
The canonical SMILES for 2-[benzyl(methylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)benzamide is CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of 2-[benzyl(methylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)benzamide?
The InChIKey is GNNNPABKLJKUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O3S2/c1-34(31,32)29(20-21-12-4-2-5-13-21)25-18-10-8-16-23(25)27(30)28-24-17-9-11-19-26(24)33-22-14-6-3-7-15-22/h2-19H,20H2,1H3,(H,28,30).
What are the key properties of 2-[benzyl(methylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)benzamide?
2-[benzyl(methylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)benzamide has a molecular weight of 488.63 g/mol, XLogP of 6.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)benzamide is sourced from PubChem (CID 1298465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).