4-methyl-N-[(2S)-3-methyl-1-oxo-1-phenyl-3-[4-(trifluoromethyl)phenyl]butan-2-yl]benzenesulfonamide

C25H24F3NO3S — CID 132583322

IUPAC4-methyl-N-[(2S)-3-methyl-1-oxo-1-phenyl-3-[4-(trifluoromethyl)phenyl]butan-2-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](C(=O)c2ccccc2)C(C)(C)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C25H24F3NO3S/c1-17-9-15-21(16-10-17)33(31,32)29-23(22(30)18-7-5-4-6-8-18)24(2,3)19-11-13-20(14-12-19)25(26,27)28/h4-16,23,29H,1-3H3/t23-/m1/s1
InChIKeyGMYDLZCYJFYFEO-HSZRJFAPSA-N
MW475.53 g/mol
LogP5.52
Rot. Bonds7

About 4-methyl-N-[(2S)-3-methyl-1-oxo-1-phenyl-3-[4-(trifluoromethyl)phenyl]butan-2-yl]benzenesulfonamide

4-methyl-N-[(2S)-3-methyl-1-oxo-1-phenyl-3-[4-(trifluoromethyl)phenyl]butan-2-yl]benzenesulfonamide (PubChem CID 132583322) has the molecular formula C25H24F3NO3S and a molecular weight of 475.53 g/mol. Its IUPAC name is 4-methyl-N-[(2S)-3-methyl-1-oxo-1-phenyl-3-[4-(trifluoromethyl)phenyl]butan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(2S)-3-methyl-1-oxo-1-phenyl-3-[4-(trifluoromethyl)phenyl]butan-2-yl]benzenesulfonamide
PubChem CID132583322
Molecular FormulaC25H24F3NO3S
Molecular Weight475.53 g/mol
Exact Mass475.14
IUPAC Name4-methyl-N-[(2S)-3-methyl-1-oxo-1-phenyl-3-[4-(trifluoromethyl)phenyl]butan-2-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](C(=O)c2ccccc2)C(C)(C)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C25H24F3NO3S/c1-17-9-15-21(16-10-17)33(31,32)29-23(22(30)18-7-5-4-6-8-18)24(2,3)19-11-13-20(14-12-19)25(26,27)28/h4-16,23,29H,1-3H3/t23-/m1/s1
InChIKeyGMYDLZCYJFYFEO-HSZRJFAPSA-N
XLogP5.52
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.53
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-N-[(2S)-3-methyl-1-oxo-1-phenyl-3-[4-(trifluoromethyl)phenyl]butan-2-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-1-(4-methoxyphenyl)-3-methyl-1-oxo-3-phenylbutan-2-yl]-4-methylbenzenesulfonamide
CID 132583319
4-methyl-N-[(S)-phenyl-[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 134952770
3-methyl-2-[[4-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 43091494
N-[(1R,2R)-2-bromo-3-oxo-1,3-diphenylpropyl]-4-methylbenzenesulfonamide
CID 102280789
4-methyl-N-[(R)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 154713229
(NE)-4-methyl-N-[phenyl-[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide
CID 134997728
4-methyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]-2-trimethylsilylbuta-2,3-dienyl]benzenesulfonamide
CID 164685083
N-[(1S,2S)-1-(4-fluorophenyl)-3-oxo-2,3-diphenylpropyl]-4-methylbenzenesulfonamide
CID 135064335
N-[(4-methylphenyl)-oxo-[4-(trifluoromethyl)anilino]-λ6-sulfanylidene]benzamide
CID 53230438
lithium;hydride;N-(4-methylphenyl)sulfonylbenzamide
CID 173095463
4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 71816821
N,N-dimethyl-2-[(R)-[(4-methylphenyl)sulfonylamino]-[4-(trifluoromethyl)phenyl]methyl]indole-1-carboxamide
CID 102490766

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2S)-3-methyl-1-oxo-1-phenyl-3-[4-(trifluoromethyl)phenyl]butan-2-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(2S)-3-methyl-1-oxo-1-phenyl-3-[4-(trifluoromethyl)phenyl]butan-2-yl]benzenesulfonamide (CID 132583322) is 4-methyl-N-[(2S)-3-methyl-1-oxo-1-phenyl-3-[4-(trifluoromethyl)phenyl]butan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(2S)-3-methyl-1-oxo-1-phenyl-3-[4-(trifluoromethyl)phenyl]butan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(2S)-3-methyl-1-oxo-1-phenyl-3-[4-(trifluoromethyl)phenyl]butan-2-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@H](C(=O)c2ccccc2)C(C)(C)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-methyl-N-[(2S)-3-methyl-1-oxo-1-phenyl-3-[4-(trifluoromethyl)phenyl]butan-2-yl]benzenesulfonamide?
The InChIKey is GMYDLZCYJFYFEO-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H24F3NO3S/c1-17-9-15-21(16-10-17)33(31,32)29-23(22(30)18-7-5-4-6-8-18)24(2,3)19-11-13-20(14-12-19)25(26,27)28/h4-16,23,29H,1-3H3/t23-/m1/s1.
What are the key properties of 4-methyl-N-[(2S)-3-methyl-1-oxo-1-phenyl-3-[4-(trifluoromethyl)phenyl]butan-2-yl]benzenesulfonamide?
4-methyl-N-[(2S)-3-methyl-1-oxo-1-phenyl-3-[4-(trifluoromethyl)phenyl]butan-2-yl]benzenesulfonamide has a molecular weight of 475.53 g/mol, XLogP of 5.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2S)-3-methyl-1-oxo-1-phenyl-3-[4-(trifluoromethyl)phenyl]butan-2-yl]benzenesulfonamide is sourced from PubChem (CID 132583322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).