2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)benzamide

C23H24N2O3S — CID 1106259

IUPAC2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)cc1C
InChIInChI=1S/C23H24N2O3S/c1-17-13-14-20(15-18(17)2)24-23(26)21-11-7-8-12-22(21)25(29(3,27)28)16-19-9-5-4-6-10-19/h4-15H,16H2,1-3H3,(H,24,26)
InChIKeySMYRLPIWCVDOCS-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.52
Rot. Bonds6

About 2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)benzamide

2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)benzamide (PubChem CID 1106259) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is 2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)benzamide.

Molecular Properties

Compound Name2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)benzamide
PubChem CID1106259
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC Name2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)cc1C
InChIInChI=1S/C23H24N2O3S/c1-17-13-14-20(15-18(17)2)24-23(26)21-11-7-8-12-22(21)25(29(3,27)28)16-19-9-5-4-6-10-19/h4-15H,16H2,1-3H3,(H,24,26)
InChIKeySMYRLPIWCVDOCS-UHFFFAOYSA-N
XLogP4.52
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 ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl(methylsulfonyl)amino]-N-(3-chloro-4-methylphenyl)benzamide
CID 1107749
2-[benzyl(methylsulfonyl)amino]-N-phenylbenzamide
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2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethoxyphenyl)benzamide
CID 1107755
N-(3-acetylphenyl)-2-[benzyl(methylsulfonyl)amino]benzamide
CID 1361093
N-[(Z)-1-(3-benzamidophenyl)ethylideneamino]-2-[benzyl(methylsulfonyl)amino]benzamide
CID 98123917
2-[benzyl(methylsulfonyl)amino]-N-cyclopropylbenzamide
CID 53280424
2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 838547
2-[benzyl(methylsulfonyl)amino]-N-(2-ethoxyphenyl)benzamide
CID 1107753
2-[benzyl(methylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)benzamide
CID 1298465
N-[1-(4-acetamidophenyl)ethylideneamino]-2-[benzyl(methylsulfonyl)amino]benzamide
CID 1278302
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 982875
2-[benzyl(methylsulfonyl)amino]-N-[(2-methylphenyl)-phenylmethyl]benzamide
CID 43908026

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)benzamide?
The IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)benzamide (CID 1106259) is 2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)benzamide.
What is the SMILES notation for 2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)benzamide?
The canonical SMILES for 2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)benzamide is Cc1ccc(NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)cc1C.
What is the InChIKey of 2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)benzamide?
The InChIKey is SMYRLPIWCVDOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-17-13-14-20(15-18(17)2)24-23(26)21-11-7-8-12-22(21)25(29(3,27)28)16-19-9-5-4-6-10-19/h4-15H,16H2,1-3H3,(H,24,26).
What are the key properties of 2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)benzamide?
2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)benzamide has a molecular weight of 408.52 g/mol, XLogP of 4.52, 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-(3,4-dimethylphenyl)benzamide is sourced from PubChem (CID 1106259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).