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

C28H34N2O4S — CID 30404331

IUPAC(2R)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1C
InChIInChI=1S/C28H34N2O4S/c1-18-14-20(3)25(16-19(18)2)22(5)29-28(31)26(17-23-10-8-7-9-11-23)30-35(32,33)24-12-13-27(34-6)21(4)15-24/h7-16,22,26,30H,17H2,1-6H3,(H,29,31)/t22-,26+/m0/s1
InChIKeyGZGLMHAEJYMCGA-BKMJKUGQSA-N
MW494.66 g/mol
LogP4.70
Rot. Bonds9

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

(2R)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide (PubChem CID 30404331) has the molecular formula C28H34N2O4S and a molecular weight of 494.66 g/mol. Its IUPAC name is (2R)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
PubChem CID30404331
Molecular FormulaC28H34N2O4S
Molecular Weight494.66 g/mol
Exact Mass494.22
IUPAC Name(2R)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1C
InChIInChI=1S/C28H34N2O4S/c1-18-14-20(3)25(16-19(18)2)22(5)29-28(31)26(17-23-10-8-7-9-11-23)30-35(32,33)24-12-13-27(34-6)21(4)15-24/h7-16,22,26,30H,17H2,1-6H3,(H,29,31)/t22-,26+/m0/s1
InChIKeyGZGLMHAEJYMCGA-BKMJKUGQSA-N
XLogP4.70
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.66
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide with MolForge

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Related Compounds

(2S)-2-(benzenesulfonamido)-3-phenyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 30404196
(2R)-N-[(2R)-butan-2-yl]-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28541476
N-[1-(4-chlorophenyl)ethyl]-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43871442
(2S)-2-[(4-bromophenyl)sulfonylamino]-3-phenyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 94864304
(2S)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 30404005
(2S)-N-tert-butyl-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28541491
(2R)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N,3-diphenylpropanamide
CID 28541649
(2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-[(1R)-1-phenylethyl]propanamide
CID 30143939
(2R)-N-(3,4-dimethylphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28541703
(2R)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28538757
(2S)-3-phenyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 30404218
N-(3-chloro-4-methoxyphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43871402

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide?
The IUPAC name of (2R)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide (CID 30404331) is (2R)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide?
The canonical SMILES for (2R)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide is COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1C.
What is the InChIKey of (2R)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide?
The InChIKey is GZGLMHAEJYMCGA-BKMJKUGQSA-N. The full InChI is InChI=1S/C28H34N2O4S/c1-18-14-20(3)25(16-19(18)2)22(5)29-28(31)26(17-23-10-8-7-9-11-23)30-35(32,33)24-12-13-27(34-6)21(4)15-24/h7-16,22,26,30H,17H2,1-6H3,(H,29,31)/t22-,26+/m0/s1.
What are the key properties of (2R)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide?
(2R)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide has a molecular weight of 494.66 g/mol, XLogP of 4.70, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide is sourced from PubChem (CID 30404331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).