2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide

C25H28N2O3S — CID 125054386

IUPAC2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
SMILESCc1ccc(CN(CC(=O)N[C@H](c2ccccc2)c2ccccc2C)S(C)(=O)=O)cc1
InChIInChI=1S/C25H28N2O3S/c1-19-13-15-21(16-14-19)17-27(31(3,29)30)18-24(28)26-25(22-10-5-4-6-11-22)23-12-8-7-9-20(23)2/h4-16,25H,17-18H2,1-3H3,(H,26,28)/t25-/m1/s1
InChIKeyUBHDNPMPNIOKNP-RUZDIDTESA-N
MW436.58 g/mol
LogP3.97
Rot. Bonds8

About 2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide

2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide (PubChem CID 125054386) has the molecular formula C25H28N2O3S and a molecular weight of 436.58 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
PubChem CID125054386
Molecular FormulaC25H28N2O3S
Molecular Weight436.58 g/mol
Exact Mass436.18
IUPAC Name2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
SMILESCc1ccc(CN(CC(=O)N[C@H](c2ccccc2)c2ccccc2C)S(C)(=O)=O)cc1
InChIInChI=1S/C25H28N2O3S/c1-19-13-15-21(16-14-19)17-27(31(3,29)30)18-24(28)26-25(22-10-5-4-6-11-22)23-12-8-7-9-20(23)2/h4-16,25H,17-18H2,1-3H3,(H,26,28)/t25-/m1/s1
InChIKeyUBHDNPMPNIOKNP-RUZDIDTESA-N
XLogP3.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl(methylsulfonyl)amino]-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 133184536
2-[benzyl(methylsulfonyl)amino]-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 133200073
2-(4-methylphenyl)-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide
CID 93487393
2-[benzyl(methylsulfonyl)amino]-N-[1-(2-methylphenyl)propyl]acetamide
CID 133184431
2-[benzyl(methylsulfonyl)amino]-N-[1-(4-methylphenyl)ethyl]acetamide
CID 133178675
N-[(R)-(2-methylphenyl)-phenylmethyl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30305741
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 100527709
2-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]acetamide
CID 100526389
2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 92684457
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 125063705
2-(4-iodo-N-methylsulfonylanilino)-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 43876173
2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(2R)-pentan-2-yl]acetamide
CID 100599359

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide?
The IUPAC name of 2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide (CID 125054386) is 2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide?
The canonical SMILES for 2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide is Cc1ccc(CN(CC(=O)N[C@H](c2ccccc2)c2ccccc2C)S(C)(=O)=O)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide?
The InChIKey is UBHDNPMPNIOKNP-RUZDIDTESA-N. The full InChI is InChI=1S/C25H28N2O3S/c1-19-13-15-21(16-14-19)17-27(31(3,29)30)18-24(28)26-25(22-10-5-4-6-11-22)23-12-8-7-9-20(23)2/h4-16,25H,17-18H2,1-3H3,(H,26,28)/t25-/m1/s1.
What are the key properties of 2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide?
2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide has a molecular weight of 436.58 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide is sourced from PubChem (CID 125054386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).