(3S)-3-[benzenesulfonyl(methyl)amino]-N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)propanamide

C24H25ClN2O4S — CID 92647885

IUPAC(3S)-3-[benzenesulfonyl(methyl)amino]-N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc([C@H](CC(=O)NCc2ccccc2Cl)N(C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H25ClN2O4S/c1-27(32(29,30)21-9-4-3-5-10-21)23(18-12-14-20(31-2)15-13-18)16-24(28)26-17-19-8-6-7-11-22(19)25/h3-15,23H,16-17H2,1-2H3,(H,26,28)/t23-/m0/s1
InChIKeyZNXMYGGCHVGFFZ-QHCPKHFHSA-N
MW472.99 g/mol
LogP4.42
Rot. Bonds9

About (3S)-3-[benzenesulfonyl(methyl)amino]-N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)propanamide

(3S)-3-[benzenesulfonyl(methyl)amino]-N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 92647885) has the molecular formula C24H25ClN2O4S and a molecular weight of 472.99 g/mol. Its IUPAC name is (3S)-3-[benzenesulfonyl(methyl)amino]-N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(3S)-3-[benzenesulfonyl(methyl)amino]-N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)propanamide
PubChem CID92647885
Molecular FormulaC24H25ClN2O4S
Molecular Weight472.99 g/mol
Exact Mass472.12
IUPAC Name(3S)-3-[benzenesulfonyl(methyl)amino]-N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc([C@H](CC(=O)NCc2ccccc2Cl)N(C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H25ClN2O4S/c1-27(32(29,30)21-9-4-3-5-10-21)23(18-12-14-20(31-2)15-13-18)16-24(28)26-17-19-8-6-7-11-22(19)25/h3-15,23H,16-17H2,1-2H3,(H,26,28)/t23-/m0/s1
InChIKeyZNXMYGGCHVGFFZ-QHCPKHFHSA-N
XLogP4.42
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.99
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-[benzenesulfonyl(methyl)amino]-N-ethyl-3-(4-methoxyphenyl)propanamide
CID 92647848
(3S)-3-[benzenesulfonyl(methyl)amino]-N-(2-chlorophenyl)-3-(4-methoxyphenyl)propanamide
CID 92647943
(3S)-3-[benzenesulfonyl(methyl)amino]-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]propanamide
CID 92647883
(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
(3R)-3-[benzenesulfonyl(methyl)amino]-N-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)propanamide
CID 92647962
(3S)-3-[benzenesulfonyl(methyl)amino]-N-(3-hydroxypropyl)-3-(4-methoxyphenyl)propanamide
CID 92647875
(3S)-3-[benzenesulfonyl(methyl)amino]-N-(3-ethoxypropyl)-3-(4-methoxyphenyl)propanamide
CID 92648071
N-[(2-chlorophenyl)methyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 53279173
(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
4-[[(3S)-3-[benzenesulfonyl(methyl)amino]-3-(4-methoxyphenyl)propanoyl]amino]benzamide
CID 92648025

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[benzenesulfonyl(methyl)amino]-N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of (3S)-3-[benzenesulfonyl(methyl)amino]-N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)propanamide (CID 92647885) is (3S)-3-[benzenesulfonyl(methyl)amino]-N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for (3S)-3-[benzenesulfonyl(methyl)amino]-N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for (3S)-3-[benzenesulfonyl(methyl)amino]-N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)propanamide is COc1ccc([C@H](CC(=O)NCc2ccccc2Cl)N(C)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of (3S)-3-[benzenesulfonyl(methyl)amino]-N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is ZNXMYGGCHVGFFZ-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H25ClN2O4S/c1-27(32(29,30)21-9-4-3-5-10-21)23(18-12-14-20(31-2)15-13-18)16-24(28)26-17-19-8-6-7-11-22(19)25/h3-15,23H,16-17H2,1-2H3,(H,26,28)/t23-/m0/s1.
What are the key properties of (3S)-3-[benzenesulfonyl(methyl)amino]-N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)propanamide?
(3S)-3-[benzenesulfonyl(methyl)amino]-N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 472.99 g/mol, XLogP of 4.42, 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]-N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 92647885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).