2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide

C20H25ClN2O3S — CID 100748225

IUPAC2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
SMILESCC[C@@H](NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O)c1ccc(C)cc1
InChIInChI=1S/C20H25ClN2O3S/c1-4-19(16-11-9-15(2)10-12-16)22-20(24)14-23(27(3,25)26)13-17-7-5-6-8-18(17)21/h5-12,19H,4,13-14H2,1-3H3,(H,22,24)/t19-/m1/s1
InChIKeyJXGMDIGFHYMINU-LJQANCHMSA-N
MW408.95 g/mol
LogP3.68
Rot. Bonds8

About 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide

2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide (PubChem CID 100748225) has the molecular formula C20H25ClN2O3S and a molecular weight of 408.95 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
PubChem CID100748225
Molecular FormulaC20H25ClN2O3S
Molecular Weight408.95 g/mol
Exact Mass408.13
IUPAC Name2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
SMILESCC[C@@H](NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O)c1ccc(C)cc1
InChIInChI=1S/C20H25ClN2O3S/c1-4-19(16-11-9-15(2)10-12-16)22-20(24)14-23(27(3,25)26)13-17-7-5-6-8-18(17)21/h5-12,19H,4,13-14H2,1-3H3,(H,22,24)/t19-/m1/s1
InChIKeyJXGMDIGFHYMINU-LJQANCHMSA-N
XLogP3.68
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.95
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 100527709
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-pentan-3-ylacetamide
CID 100625817
2-(2-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 99958229
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 133201701
2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 4683332
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 28545519
2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 126070154
2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 38015285
2-(3,4-dichloro-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]acetamide
CID 46764303
2-[benzyl(methylsulfonyl)amino]-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 133200073
N-(2-chlorophenyl)-2-[methyl-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]amino]acetamide
CID 9037201
N-[(2S)-butan-2-yl]-2-[[2-[(2-chlorophenyl)methyl-methylsulfonylamino]acetyl]amino]benzamide
CID 100753386

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide (CID 100748225) is 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide is CC[C@@H](NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O)c1ccc(C)cc1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide?
The InChIKey is JXGMDIGFHYMINU-LJQANCHMSA-N. The full InChI is InChI=1S/C20H25ClN2O3S/c1-4-19(16-11-9-15(2)10-12-16)22-20(24)14-23(27(3,25)26)13-17-7-5-6-8-18(17)21/h5-12,19H,4,13-14H2,1-3H3,(H,22,24)/t19-/m1/s1.
What are the key properties of 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide?
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide has a molecular weight of 408.95 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide is sourced from PubChem (CID 100748225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).