2-[benzyl(methylsulfonyl)amino]-N-[(2-methylphenyl)-phenylmethyl]benzamide

C29H28N2O3S — CID 43908026

IUPAC2-[benzyl(methylsulfonyl)amino]-N-[(2-methylphenyl)-phenylmethyl]benzamide
SMILESCc1ccccc1C(NC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C29H28N2O3S/c1-22-13-9-10-18-25(22)28(24-16-7-4-8-17-24)30-29(32)26-19-11-12-20-27(26)31(35(2,33)34)21-23-14-5-3-6-15-23/h3-20,28H,21H2,1-2H3,(H,30,32)
InChIKeyCQCJMOCGRVDPJR-UHFFFAOYSA-N
MW484.62 g/mol
LogP5.48
Rot. Bonds8

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

2-[benzyl(methylsulfonyl)amino]-N-[(2-methylphenyl)-phenylmethyl]benzamide (PubChem CID 43908026) has the molecular formula C29H28N2O3S and a molecular weight of 484.62 g/mol. Its IUPAC name is 2-[benzyl(methylsulfonyl)amino]-N-[(2-methylphenyl)-phenylmethyl]benzamide.

Molecular Properties

Compound Name2-[benzyl(methylsulfonyl)amino]-N-[(2-methylphenyl)-phenylmethyl]benzamide
PubChem CID43908026
Molecular FormulaC29H28N2O3S
Molecular Weight484.62 g/mol
Exact Mass484.18
IUPAC Name2-[benzyl(methylsulfonyl)amino]-N-[(2-methylphenyl)-phenylmethyl]benzamide
SMILESCc1ccccc1C(NC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C29H28N2O3S/c1-22-13-9-10-18-25(22)28(24-16-7-4-8-17-24)30-29(32)26-19-11-12-20-27(26)31(35(2,33)34)21-23-14-5-3-6-15-23/h3-20,28H,21H2,1-2H3,(H,30,32)
InChIKeyCQCJMOCGRVDPJR-UHFFFAOYSA-N
XLogP5.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.62
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide
CID 99644759
2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide
CID 94864403
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 94862659
4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide
CID 94026927
2-methyl-N-[(R)-(2-methylphenyl)-phenylmethyl]benzamide
CID 28578946
2-[benzyl(methylsulfonyl)amino]-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 133184536
2-[benzyl(methylsulfonyl)amino]-N-(3-chloro-4-methylphenyl)benzamide
CID 1107749
2-[benzyl(methylsulfonyl)amino]-N-phenylbenzamide
CID 1106248
2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)benzamide
CID 1106259
N-[(R)-(2-methylphenyl)-phenylmethyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 99957493
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 92675422
2-[benzyl(methylsulfonyl)amino]-N-cyclopropylbenzamide
CID 53280424

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-[(2-methylphenyl)-phenylmethyl]benzamide?
The IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-[(2-methylphenyl)-phenylmethyl]benzamide (CID 43908026) is 2-[benzyl(methylsulfonyl)amino]-N-[(2-methylphenyl)-phenylmethyl]benzamide.
What is the SMILES notation for 2-[benzyl(methylsulfonyl)amino]-N-[(2-methylphenyl)-phenylmethyl]benzamide?
The canonical SMILES for 2-[benzyl(methylsulfonyl)amino]-N-[(2-methylphenyl)-phenylmethyl]benzamide is Cc1ccccc1C(NC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O)c1ccccc1.
What is the InChIKey of 2-[benzyl(methylsulfonyl)amino]-N-[(2-methylphenyl)-phenylmethyl]benzamide?
The InChIKey is CQCJMOCGRVDPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O3S/c1-22-13-9-10-18-25(22)28(24-16-7-4-8-17-24)30-29(32)26-19-11-12-20-27(26)31(35(2,33)34)21-23-14-5-3-6-15-23/h3-20,28H,21H2,1-2H3,(H,30,32).
What are the key properties of 2-[benzyl(methylsulfonyl)amino]-N-[(2-methylphenyl)-phenylmethyl]benzamide?
2-[benzyl(methylsulfonyl)amino]-N-[(2-methylphenyl)-phenylmethyl]benzamide has a molecular weight of 484.62 g/mol, XLogP of 5.48, 8 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-[(2-methylphenyl)-phenylmethyl]benzamide is sourced from PubChem (CID 43908026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).