(3R)-3-[benzenesulfonyl(methyl)amino]-N-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)propanamide

C23H22Cl2N2O4S — CID 92647962

IUPAC(3R)-3-[benzenesulfonyl(methyl)amino]-N-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc([C@@H](CC(=O)Nc2cccc(Cl)c2Cl)N(C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H22Cl2N2O4S/c1-27(32(29,30)18-7-4-3-5-8-18)21(16-11-13-17(31-2)14-12-16)15-22(28)26-20-10-6-9-19(24)23(20)25/h3-14,21H,15H2,1-2H3,(H,26,28)/t21-/m1/s1
InChIKeyBAKXAWVMFLINDY-OAQYLSRUSA-N
MW493.41 g/mol
LogP5.39
Rot. Bonds8

About (3R)-3-[benzenesulfonyl(methyl)amino]-N-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)propanamide

(3R)-3-[benzenesulfonyl(methyl)amino]-N-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)propanamide (PubChem CID 92647962) has the molecular formula C23H22Cl2N2O4S and a molecular weight of 493.41 g/mol. Its IUPAC name is (3R)-3-[benzenesulfonyl(methyl)amino]-N-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(3R)-3-[benzenesulfonyl(methyl)amino]-N-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)propanamide
PubChem CID92647962
Molecular FormulaC23H22Cl2N2O4S
Molecular Weight493.41 g/mol
Exact Mass492.07
IUPAC Name(3R)-3-[benzenesulfonyl(methyl)amino]-N-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc([C@@H](CC(=O)Nc2cccc(Cl)c2Cl)N(C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H22Cl2N2O4S/c1-27(32(29,30)18-7-4-3-5-8-18)21(16-11-13-17(31-2)14-12-16)15-22(28)26-20-10-6-9-19(24)23(20)25/h3-14,21H,15H2,1-2H3,(H,26,28)/t21-/m1/s1
InChIKeyBAKXAWVMFLINDY-OAQYLSRUSA-N
XLogP5.39
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.41
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-[benzenesulfonyl(methyl)amino]-N-(2-chlorophenyl)-3-(4-methoxyphenyl)propanamide
CID 92647943
(3S)-N-(3-acetamidophenyl)-3-[benzenesulfonyl(methyl)amino]-3-(4-methoxyphenyl)propanamide
CID 92648099
(3S)-3-[benzenesulfonyl(methyl)amino]-N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 92647885
(3R)-3-[benzenesulfonyl(methyl)amino]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 92647846
(3R)-3-[benzenesulfonyl(methyl)amino]-N-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)propanamide
CID 92647918
(3R)-3-[benzenesulfonyl(methyl)amino]-N-ethyl-3-(4-methoxyphenyl)propanamide
CID 92647848
4-[[(3S)-3-[benzenesulfonyl(methyl)amino]-3-(4-methoxyphenyl)propanoyl]amino]benzamide
CID 92648025
(3S)-3-[benzenesulfonyl(methyl)amino]-N-(3-hydroxypropyl)-3-(4-methoxyphenyl)propanamide
CID 92647875
(3S)-3-[benzenesulfonyl(methyl)amino]-3-(4-methoxyphenyl)-N-(3-nitrophenyl)propanamide
CID 92648031
(3S)-3-[benzenesulfonyl(methyl)amino]-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]propanamide
CID 92647883
(3S)-3-[benzenesulfonyl(methyl)amino]-N-cyclohexyl-3-(4-methoxyphenyl)propanamide
CID 92647867
(3S)-3-[benzenesulfonyl(methyl)amino]-3-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 92647901

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[benzenesulfonyl(methyl)amino]-N-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)propanamide?
The IUPAC name of (3R)-3-[benzenesulfonyl(methyl)amino]-N-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)propanamide (CID 92647962) is (3R)-3-[benzenesulfonyl(methyl)amino]-N-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for (3R)-3-[benzenesulfonyl(methyl)amino]-N-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for (3R)-3-[benzenesulfonyl(methyl)amino]-N-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)propanamide is COc1ccc([C@@H](CC(=O)Nc2cccc(Cl)c2Cl)N(C)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of (3R)-3-[benzenesulfonyl(methyl)amino]-N-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)propanamide?
The InChIKey is BAKXAWVMFLINDY-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H22Cl2N2O4S/c1-27(32(29,30)18-7-4-3-5-8-18)21(16-11-13-17(31-2)14-12-16)15-22(28)26-20-10-6-9-19(24)23(20)25/h3-14,21H,15H2,1-2H3,(H,26,28)/t21-/m1/s1.
What are the key properties of (3R)-3-[benzenesulfonyl(methyl)amino]-N-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)propanamide?
(3R)-3-[benzenesulfonyl(methyl)amino]-N-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)propanamide has a molecular weight of 493.41 g/mol, XLogP of 5.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[benzenesulfonyl(methyl)amino]-N-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 92647962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).