N-[(2S)-1-(4-methoxyphenyl)-3-methyl-1-oxo-3-phenylbutan-2-yl]-4-methylbenzenesulfonamide

C25H27NO4S — CID 132583319

IUPACN-[(2S)-1-(4-methoxyphenyl)-3-methyl-1-oxo-3-phenylbutan-2-yl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(C(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)(C)c2ccccc2)cc1
InChIInChI=1S/C25H27NO4S/c1-18-10-16-22(17-11-18)31(28,29)26-24(25(2,3)20-8-6-5-7-9-20)23(27)19-12-14-21(30-4)15-13-19/h5-17,24,26H,1-4H3/t24-/m1/s1
InChIKeyMGKZICRLYVGZRR-XMMPIXPASA-N
MW437.56 g/mol
LogP4.51
Rot. Bonds8

About N-[(2S)-1-(4-methoxyphenyl)-3-methyl-1-oxo-3-phenylbutan-2-yl]-4-methylbenzenesulfonamide

N-[(2S)-1-(4-methoxyphenyl)-3-methyl-1-oxo-3-phenylbutan-2-yl]-4-methylbenzenesulfonamide (PubChem CID 132583319) has the molecular formula C25H27NO4S and a molecular weight of 437.56 g/mol. Its IUPAC name is N-[(2S)-1-(4-methoxyphenyl)-3-methyl-1-oxo-3-phenylbutan-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-(4-methoxyphenyl)-3-methyl-1-oxo-3-phenylbutan-2-yl]-4-methylbenzenesulfonamide
PubChem CID132583319
Molecular FormulaC25H27NO4S
Molecular Weight437.56 g/mol
Exact Mass437.17
IUPAC NameN-[(2S)-1-(4-methoxyphenyl)-3-methyl-1-oxo-3-phenylbutan-2-yl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(C(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)(C)c2ccccc2)cc1
InChIInChI=1S/C25H27NO4S/c1-18-10-16-22(17-11-18)31(28,29)26-24(25(2,3)20-8-6-5-7-9-20)23(27)19-12-14-21(30-4)15-13-19/h5-17,24,26H,1-4H3/t24-/m1/s1
InChIKeyMGKZICRLYVGZRR-XMMPIXPASA-N
XLogP4.51
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.56
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[(2S)-3-methyl-1-oxo-1-phenyl-3-[4-(trifluoromethyl)phenyl]butan-2-yl]benzenesulfonamide
CID 132583322
N-[(1S,2S)-3-(4-methoxyphenyl)-3-oxo-1,2-diphenylpropyl]-4-methylbenzenesulfonamide
CID 135056806
N-[(1R,2S)-1-bromo-3-(4-methoxyphenyl)-3-oxo-1-phenylpropan-2-yl]-4-methylbenzenesulfonamide
CID 102280791
N-[(1R)-1-(4-methoxyphenyl)-1-phenylethyl]-4-methylbenzenesulfonamide
CID 102049077
dimethyl 2-[(E,1R)-3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-1-phenylprop-2-enyl]propanedioate
CID 102224653
N-[(1R,2R)-2-bromo-1-(3,5-dimethoxyphenyl)-3-oxo-3-phenylpropyl]-4-methylbenzenesulfonamide
CID 102280793
N-[1-(4-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,3-diphenylprop-2-enyl]-4-methylbenzenesulfonamide
CID 102027950
N-[(Z)-2-(4-methoxybenzoyl)-1-phenylpent-2-enyl]-4-methylbenzenesulfonamide
CID 46844305
N-[cyano-(4-methylphenyl)methyl]-4-methoxybenzenesulfonamide
CID 110664230
N-[1,2-bis(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 101196699
(2R,3S)-3-(4-methoxyphenyl)-2-methyl-3-[(4-methylphenyl)sulfonylamino]propanoic acid
CID 122378100
(3S)-3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid
CID 674533

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(4-methoxyphenyl)-3-methyl-1-oxo-3-phenylbutan-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(2S)-1-(4-methoxyphenyl)-3-methyl-1-oxo-3-phenylbutan-2-yl]-4-methylbenzenesulfonamide (CID 132583319) is N-[(2S)-1-(4-methoxyphenyl)-3-methyl-1-oxo-3-phenylbutan-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2S)-1-(4-methoxyphenyl)-3-methyl-1-oxo-3-phenylbutan-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(2S)-1-(4-methoxyphenyl)-3-methyl-1-oxo-3-phenylbutan-2-yl]-4-methylbenzenesulfonamide is COc1ccc(C(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)(C)c2ccccc2)cc1.
What is the InChIKey of N-[(2S)-1-(4-methoxyphenyl)-3-methyl-1-oxo-3-phenylbutan-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is MGKZICRLYVGZRR-XMMPIXPASA-N. The full InChI is InChI=1S/C25H27NO4S/c1-18-10-16-22(17-11-18)31(28,29)26-24(25(2,3)20-8-6-5-7-9-20)23(27)19-12-14-21(30-4)15-13-19/h5-17,24,26H,1-4H3/t24-/m1/s1.
What are the key properties of N-[(2S)-1-(4-methoxyphenyl)-3-methyl-1-oxo-3-phenylbutan-2-yl]-4-methylbenzenesulfonamide?
N-[(2S)-1-(4-methoxyphenyl)-3-methyl-1-oxo-3-phenylbutan-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 437.56 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(4-methoxyphenyl)-3-methyl-1-oxo-3-phenylbutan-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 132583319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).