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

C23H23ClN2O4S — CID 92647943

IUPAC(3S)-3-[benzenesulfonyl(methyl)amino]-N-(2-chlorophenyl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc([C@H](CC(=O)Nc2ccccc2Cl)N(C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H23ClN2O4S/c1-26(31(28,29)19-8-4-3-5-9-19)22(17-12-14-18(30-2)15-13-17)16-23(27)25-21-11-7-6-10-20(21)24/h3-15,22H,16H2,1-2H3,(H,25,27)/t22-/m0/s1
InChIKeyLDSYJEMSPDHVAO-QFIPXVFZSA-N
MW458.97 g/mol
LogP4.74
Rot. Bonds8

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

(3S)-3-[benzenesulfonyl(methyl)amino]-N-(2-chlorophenyl)-3-(4-methoxyphenyl)propanamide (PubChem CID 92647943) has the molecular formula C23H23ClN2O4S and a molecular weight of 458.97 g/mol. Its IUPAC name is (3S)-3-[benzenesulfonyl(methyl)amino]-N-(2-chlorophenyl)-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(3S)-3-[benzenesulfonyl(methyl)amino]-N-(2-chlorophenyl)-3-(4-methoxyphenyl)propanamide
PubChem CID92647943
Molecular FormulaC23H23ClN2O4S
Molecular Weight458.97 g/mol
Exact Mass458.11
IUPAC Name(3S)-3-[benzenesulfonyl(methyl)amino]-N-(2-chlorophenyl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc([C@H](CC(=O)Nc2ccccc2Cl)N(C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H23ClN2O4S/c1-26(31(28,29)19-8-4-3-5-9-19)22(17-12-14-18(30-2)15-13-17)16-23(27)25-21-11-7-6-10-20(21)24/h3-15,22H,16H2,1-2H3,(H,25,27)/t22-/m0/s1
InChIKeyLDSYJEMSPDHVAO-QFIPXVFZSA-N
XLogP4.74
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.97
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-[benzenesulfonyl(methyl)amino]-N-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)propanamide
CID 92647962
(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
(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
(3S)-3-[benzenesulfonyl(methyl)amino]-N-(3-hydroxypropyl)-3-(4-methoxyphenyl)propanamide
CID 92647875
(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-(3-nitrophenyl)propanamide
CID 92648031
(3S)-3-[benzenesulfonyl(methyl)amino]-3-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 92647901

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[benzenesulfonyl(methyl)amino]-N-(2-chlorophenyl)-3-(4-methoxyphenyl)propanamide?
The IUPAC name of (3S)-3-[benzenesulfonyl(methyl)amino]-N-(2-chlorophenyl)-3-(4-methoxyphenyl)propanamide (CID 92647943) is (3S)-3-[benzenesulfonyl(methyl)amino]-N-(2-chlorophenyl)-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for (3S)-3-[benzenesulfonyl(methyl)amino]-N-(2-chlorophenyl)-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for (3S)-3-[benzenesulfonyl(methyl)amino]-N-(2-chlorophenyl)-3-(4-methoxyphenyl)propanamide is COc1ccc([C@H](CC(=O)Nc2ccccc2Cl)N(C)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of (3S)-3-[benzenesulfonyl(methyl)amino]-N-(2-chlorophenyl)-3-(4-methoxyphenyl)propanamide?
The InChIKey is LDSYJEMSPDHVAO-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H23ClN2O4S/c1-26(31(28,29)19-8-4-3-5-9-19)22(17-12-14-18(30-2)15-13-17)16-23(27)25-21-11-7-6-10-20(21)24/h3-15,22H,16H2,1-2H3,(H,25,27)/t22-/m0/s1.
What are the key properties of (3S)-3-[benzenesulfonyl(methyl)amino]-N-(2-chlorophenyl)-3-(4-methoxyphenyl)propanamide?
(3S)-3-[benzenesulfonyl(methyl)amino]-N-(2-chlorophenyl)-3-(4-methoxyphenyl)propanamide has a molecular weight of 458.97 g/mol, XLogP of 4.74, 8 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)-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 92647943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).