(3S)-3-[benzenesulfonyl(methyl)amino]-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]propanamide

C25H28N2O4S — CID 92647883

IUPAC(3S)-3-[benzenesulfonyl(methyl)amino]-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]propanamide
SMILESCOc1ccc([C@H](CC(=O)NCc2ccc(C)cc2)N(C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H28N2O4S/c1-19-9-11-20(12-10-19)18-26-25(28)17-24(21-13-15-22(31-3)16-14-21)27(2)32(29,30)23-7-5-4-6-8-23/h4-16,24H,17-18H2,1-3H3,(H,26,28)/t24-/m0/s1
InChIKeyZHALPEJBQPGXQP-DEOSSOPVSA-N
MW452.58 g/mol
LogP4.07
Rot. Bonds9

About (3S)-3-[benzenesulfonyl(methyl)amino]-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]propanamide

(3S)-3-[benzenesulfonyl(methyl)amino]-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 92647883) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is (3S)-3-[benzenesulfonyl(methyl)amino]-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name(3S)-3-[benzenesulfonyl(methyl)amino]-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]propanamide
PubChem CID92647883
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC Name(3S)-3-[benzenesulfonyl(methyl)amino]-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]propanamide
SMILESCOc1ccc([C@H](CC(=O)NCc2ccc(C)cc2)N(C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H28N2O4S/c1-19-9-11-20(12-10-19)18-26-25(28)17-24(21-13-15-22(31-3)16-14-21)27(2)32(29,30)23-7-5-4-6-8-23/h4-16,24H,17-18H2,1-3H3,(H,26,28)/t24-/m0/s1
InChIKeyZHALPEJBQPGXQP-DEOSSOPVSA-N
XLogP4.07
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-3-[benzenesulfonyl(methyl)amino]-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]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

(3R)-3-[benzenesulfonyl(methyl)amino]-N-ethyl-3-(4-methoxyphenyl)propanamide
CID 92647848
(3S)-3-[benzenesulfonyl(methyl)amino]-N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 92647885
(3S)-3-[benzenesulfonyl(methyl)amino]-3-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 92647901
(3R)-3-[benzenesulfonyl(methyl)amino]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 92647846
(3S)-3-[benzenesulfonyl(methyl)amino]-N-(3-hydroxypropyl)-3-(4-methoxyphenyl)propanamide
CID 92647875
(3R)-3-[benzenesulfonyl(methyl)amino]-N-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)propanamide
CID 92647918
(3S)-3-[benzenesulfonyl(methyl)amino]-N-(3-ethoxypropyl)-3-(4-methoxyphenyl)propanamide
CID 92648071
(3S)-3-[benzenesulfonyl(methyl)amino]-N-(2-chlorophenyl)-3-(4-methoxyphenyl)propanamide
CID 92647943
(3S)-3-[benzenesulfonyl(methyl)amino]-N-cyclohexyl-3-(4-methoxyphenyl)propanamide
CID 92647867
(3S)-N-(3-acetamidophenyl)-3-[benzenesulfonyl(methyl)amino]-3-(4-methoxyphenyl)propanamide
CID 92648099
(3S)-3-[benzenesulfonyl(methyl)amino]-3-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 92648113
(3R)-3-[benzenesulfonyl(methyl)amino]-N-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)propanamide
CID 92647962

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[benzenesulfonyl(methyl)amino]-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of (3S)-3-[benzenesulfonyl(methyl)amino]-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]propanamide (CID 92647883) is (3S)-3-[benzenesulfonyl(methyl)amino]-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for (3S)-3-[benzenesulfonyl(methyl)amino]-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for (3S)-3-[benzenesulfonyl(methyl)amino]-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]propanamide is COc1ccc([C@H](CC(=O)NCc2ccc(C)cc2)N(C)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of (3S)-3-[benzenesulfonyl(methyl)amino]-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is ZHALPEJBQPGXQP-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-19-9-11-20(12-10-19)18-26-25(28)17-24(21-13-15-22(31-3)16-14-21)27(2)32(29,30)23-7-5-4-6-8-23/h4-16,24H,17-18H2,1-3H3,(H,26,28)/t24-/m0/s1.
What are the key properties of (3S)-3-[benzenesulfonyl(methyl)amino]-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]propanamide?
(3S)-3-[benzenesulfonyl(methyl)amino]-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 452.58 g/mol, XLogP of 4.07, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[benzenesulfonyl(methyl)amino]-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 92647883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).