2-[benzyl(methylsulfonyl)amino]-N-[(4-methylphenyl)-phenylmethyl]acetamide

C24H26N2O3S — CID 133200073

IUPAC2-[benzyl(methylsulfonyl)amino]-N-[(4-methylphenyl)-phenylmethyl]acetamide
SMILESCc1ccc(C(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)c2ccccc2)cc1
InChIInChI=1S/C24H26N2O3S/c1-19-13-15-22(16-14-19)24(21-11-7-4-8-12-21)25-23(27)18-26(30(2,28)29)17-20-9-5-3-6-10-20/h3-16,24H,17-18H2,1-2H3,(H,25,27)
InChIKeyWUIMUJGVWSXRRA-UHFFFAOYSA-N
MW422.55 g/mol
LogP3.66
Rot. Bonds8

About 2-[benzyl(methylsulfonyl)amino]-N-[(4-methylphenyl)-phenylmethyl]acetamide

2-[benzyl(methylsulfonyl)amino]-N-[(4-methylphenyl)-phenylmethyl]acetamide (PubChem CID 133200073) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is 2-[benzyl(methylsulfonyl)amino]-N-[(4-methylphenyl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-[benzyl(methylsulfonyl)amino]-N-[(4-methylphenyl)-phenylmethyl]acetamide
PubChem CID133200073
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC Name2-[benzyl(methylsulfonyl)amino]-N-[(4-methylphenyl)-phenylmethyl]acetamide
SMILESCc1ccc(C(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)c2ccccc2)cc1
InChIInChI=1S/C24H26N2O3S/c1-19-13-15-22(16-14-19)24(21-11-7-4-8-12-21)25-23(27)18-26(30(2,28)29)17-20-9-5-3-6-10-20/h3-16,24H,17-18H2,1-2H3,(H,25,27)
InChIKeyWUIMUJGVWSXRRA-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-[benzyl(methylsulfonyl)amino]-N-[1-(4-methylphenyl)ethyl]acetamide
CID 133178675
2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 125054386
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 100527709
2-[benzyl(methylsulfonyl)amino]-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 133184536
N-[(4-methylphenyl)-phenylmethyl]-2-(N-methylsulfonylanilino)acetamide
CID 43886460
2-[benzyl(methylsulfonyl)amino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 133165835
2-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]acetamide
CID 100526389
2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(2R)-pentan-2-yl]acetamide
CID 100599359
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-phenylethyl]acetamide
CID 2231151
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 3114020
2-[benzyl(methylsulfonyl)amino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401307
2-[benzyl(methylsulfonyl)amino]-N-[1-(2-methylphenyl)propyl]acetamide
CID 133184431

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-[(4-methylphenyl)-phenylmethyl]acetamide?
The IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-[(4-methylphenyl)-phenylmethyl]acetamide (CID 133200073) is 2-[benzyl(methylsulfonyl)amino]-N-[(4-methylphenyl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-[benzyl(methylsulfonyl)amino]-N-[(4-methylphenyl)-phenylmethyl]acetamide?
The canonical SMILES for 2-[benzyl(methylsulfonyl)amino]-N-[(4-methylphenyl)-phenylmethyl]acetamide is Cc1ccc(C(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)c2ccccc2)cc1.
What is the InChIKey of 2-[benzyl(methylsulfonyl)amino]-N-[(4-methylphenyl)-phenylmethyl]acetamide?
The InChIKey is WUIMUJGVWSXRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-19-13-15-22(16-14-19)24(21-11-7-4-8-12-21)25-23(27)18-26(30(2,28)29)17-20-9-5-3-6-10-20/h3-16,24H,17-18H2,1-2H3,(H,25,27).
What are the key properties of 2-[benzyl(methylsulfonyl)amino]-N-[(4-methylphenyl)-phenylmethyl]acetamide?
2-[benzyl(methylsulfonyl)amino]-N-[(4-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-[(4-methylphenyl)-phenylmethyl]acetamide is sourced from PubChem (CID 133200073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).