(2S)-2-(benzenesulfonamido)-3-phenyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide

C26H30N2O3S — CID 30404196

IUPAC(2S)-2-(benzenesulfonamido)-3-phenyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
SMILESCc1cc(C)c([C@@H](C)NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)cc1C
InChIInChI=1S/C26H30N2O3S/c1-18-15-20(3)24(16-19(18)2)21(4)27-26(29)25(17-22-11-7-5-8-12-22)28-32(30,31)23-13-9-6-10-14-23/h5-16,21,25,28H,17H2,1-4H3,(H,27,29)/t21-,25+/m1/s1
InChIKeyXGPZHVOIIGNSMF-BWKNWUBXSA-N
MW450.60 g/mol
LogP4.38
Rot. Bonds8

About (2S)-2-(benzenesulfonamido)-3-phenyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide

(2S)-2-(benzenesulfonamido)-3-phenyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide (PubChem CID 30404196) has the molecular formula C26H30N2O3S and a molecular weight of 450.60 g/mol. Its IUPAC name is (2S)-2-(benzenesulfonamido)-3-phenyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(benzenesulfonamido)-3-phenyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
PubChem CID30404196
Molecular FormulaC26H30N2O3S
Molecular Weight450.60 g/mol
Exact Mass450.20
IUPAC Name(2S)-2-(benzenesulfonamido)-3-phenyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
SMILESCc1cc(C)c([C@@H](C)NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)cc1C
InChIInChI=1S/C26H30N2O3S/c1-18-15-20(3)24(16-19(18)2)21(4)27-26(29)25(17-22-11-7-5-8-12-22)28-32(30,31)23-13-9-6-10-14-23/h5-16,21,25,28H,17H2,1-4H3,(H,27,29)/t21-,25+/m1/s1
InChIKeyXGPZHVOIIGNSMF-BWKNWUBXSA-N
XLogP4.38
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.60
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(benzenesulfonamido)-3-phenyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide 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

(2S)-2-[(4-bromophenyl)sulfonylamino]-3-phenyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 94864304
(2S)-3-phenyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 30404218
(2R)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 30404331
(2R)-2-(benzenesulfonamido)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide
CID 92645937
N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
CID 30404849
(2R)-2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-[(1S)-1-phenylethyl]propanamide
CID 41374254
(2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-[(1R)-1-phenylethyl]propanamide
CID 30143939
2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-(1-phenylethyl)propanamide
CID 43889138
(2S)-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 92645807
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 30403963
2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 43871158
(2S)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 28540451

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzenesulfonamido)-3-phenyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide?
The IUPAC name of (2S)-2-(benzenesulfonamido)-3-phenyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide (CID 30404196) is (2S)-2-(benzenesulfonamido)-3-phenyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-(benzenesulfonamido)-3-phenyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide?
The canonical SMILES for (2S)-2-(benzenesulfonamido)-3-phenyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide is Cc1cc(C)c([C@@H](C)NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)cc1C.
What is the InChIKey of (2S)-2-(benzenesulfonamido)-3-phenyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide?
The InChIKey is XGPZHVOIIGNSMF-BWKNWUBXSA-N. The full InChI is InChI=1S/C26H30N2O3S/c1-18-15-20(3)24(16-19(18)2)21(4)27-26(29)25(17-22-11-7-5-8-12-22)28-32(30,31)23-13-9-6-10-14-23/h5-16,21,25,28H,17H2,1-4H3,(H,27,29)/t21-,25+/m1/s1.
What are the key properties of (2S)-2-(benzenesulfonamido)-3-phenyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide?
(2S)-2-(benzenesulfonamido)-3-phenyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide has a molecular weight of 450.60 g/mol, XLogP of 4.38, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzenesulfonamido)-3-phenyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide is sourced from PubChem (CID 30404196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).