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

C24H26N2O3S — CID 133184536

IUPAC2-[benzyl(methylsulfonyl)amino]-N-[(2-methylphenyl)-phenylmethyl]acetamide
SMILESCc1ccccc1C(NC(=O)CN(Cc1ccccc1)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C24H26N2O3S/c1-19-11-9-10-16-22(19)24(21-14-7-4-8-15-21)25-23(27)18-26(30(2,28)29)17-20-12-5-3-6-13-20/h3-16,24H,17-18H2,1-2H3,(H,25,27)
InChIKeyPAUMZOHAEPWTIN-UHFFFAOYSA-N
MW422.55 g/mol
LogP3.66
Rot. Bonds8

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

2-[benzyl(methylsulfonyl)amino]-N-[(2-methylphenyl)-phenylmethyl]acetamide (PubChem CID 133184536) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is 2-[benzyl(methylsulfonyl)amino]-N-[(2-methylphenyl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-[benzyl(methylsulfonyl)amino]-N-[(2-methylphenyl)-phenylmethyl]acetamide
PubChem CID133184536
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC Name2-[benzyl(methylsulfonyl)amino]-N-[(2-methylphenyl)-phenylmethyl]acetamide
SMILESCc1ccccc1C(NC(=O)CN(Cc1ccccc1)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C24H26N2O3S/c1-19-11-9-10-16-22(19)24(21-14-7-4-8-15-21)25-23(27)18-26(30(2,28)29)17-20-12-5-3-6-13-20/h3-16,24H,17-18H2,1-2H3,(H,25,27)
InChIKeyPAUMZOHAEPWTIN-UHFFFAOYSA-N
XLogP3.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 125054386
2-[benzyl(methylsulfonyl)amino]-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 133200073
2-[benzyl(methylsulfonyl)amino]-N-[1-(2-methylphenyl)propyl]acetamide
CID 133184431
2-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]acetamide
CID 100526389
2-[benzyl(methylsulfonyl)amino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401307
2-(4-iodo-N-methylsulfonylanilino)-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 43876173
2-[benzyl(methylsulfonyl)amino]-N-[1-(4-methylphenyl)ethyl]acetamide
CID 133178675
2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 92684457
N-[(R)-(2-methylphenyl)-phenylmethyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 99957493
2-[benzyl(methylsulfonyl)amino]-N-[(2-methylphenyl)-phenylmethyl]benzamide
CID 43908026
2-[benzyl(methylsulfonyl)amino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 133165835
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 43885253

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-[(2-methylphenyl)-phenylmethyl]acetamide?
The IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-[(2-methylphenyl)-phenylmethyl]acetamide (CID 133184536) is 2-[benzyl(methylsulfonyl)amino]-N-[(2-methylphenyl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-[benzyl(methylsulfonyl)amino]-N-[(2-methylphenyl)-phenylmethyl]acetamide?
The canonical SMILES for 2-[benzyl(methylsulfonyl)amino]-N-[(2-methylphenyl)-phenylmethyl]acetamide is Cc1ccccc1C(NC(=O)CN(Cc1ccccc1)S(C)(=O)=O)c1ccccc1.
What is the InChIKey of 2-[benzyl(methylsulfonyl)amino]-N-[(2-methylphenyl)-phenylmethyl]acetamide?
The InChIKey is PAUMZOHAEPWTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-19-11-9-10-16-22(19)24(21-14-7-4-8-15-21)25-23(27)18-26(30(2,28)29)17-20-12-5-3-6-13-20/h3-16,24H,17-18H2,1-2H3,(H,25,27).
What are the key properties of 2-[benzyl(methylsulfonyl)amino]-N-[(2-methylphenyl)-phenylmethyl]acetamide?
2-[benzyl(methylsulfonyl)amino]-N-[(2-methylphenyl)-phenylmethyl]acetamide has a molecular weight of 422.55 g/mol, XLogP of 3.66, 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]acetamide is sourced from PubChem (CID 133184536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).