2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide

C27H31ClN2O4S — CID 28636198

IUPAC2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
SMILESCOc1ccc([C@@H](CC(C)C)NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C27H31ClN2O4S/c1-19(2)17-25(21-11-13-22(34-4)14-12-21)29-27(31)18-30(26-8-6-5-7-24(26)28)35(32,33)23-15-9-20(3)10-16-23/h5-16,19,25H,17-18H2,1-4H3,(H,29,31)/t25-/m1/s1
InChIKeyOIJXBNVELZBUBC-RUZDIDTESA-N
MW515.08 g/mol
LogP5.76
Rot. Bonds10

About 2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide

2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide (PubChem CID 28636198) has the molecular formula C27H31ClN2O4S and a molecular weight of 515.08 g/mol. Its IUPAC name is 2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
PubChem CID28636198
Molecular FormulaC27H31ClN2O4S
Molecular Weight515.08 g/mol
Exact Mass514.17
IUPAC Name2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
SMILESCOc1ccc([C@@H](CC(C)C)NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C27H31ClN2O4S/c1-19(2)17-25(21-11-13-22(34-4)14-12-21)29-27(31)18-30(26-8-6-5-7-24(26)28)35(32,33)23-15-9-20(3)10-16-23/h5-16,19,25H,17-18H2,1-4H3,(H,29,31)/t25-/m1/s1
InChIKeyOIJXBNVELZBUBC-RUZDIDTESA-N
XLogP5.76
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.08
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide 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

2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 30306397
2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 92677470
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 30307287
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 30398115
2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 30397252
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 92646148
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 30306805
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 43886231
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 92682522
2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 30207829
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(3-methyl-1-phenylbutyl)acetamide
CID 43901953
2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(3,4-dimethylphenyl)propyl]acetamide
CID 43893986

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide?
The IUPAC name of 2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide (CID 28636198) is 2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide.
What is the SMILES notation for 2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide?
The canonical SMILES for 2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide is COc1ccc([C@@H](CC(C)C)NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide?
The InChIKey is OIJXBNVELZBUBC-RUZDIDTESA-N. The full InChI is InChI=1S/C27H31ClN2O4S/c1-19(2)17-25(21-11-13-22(34-4)14-12-21)29-27(31)18-30(26-8-6-5-7-24(26)28)35(32,33)23-15-9-20(3)10-16-23/h5-16,19,25H,17-18H2,1-4H3,(H,29,31)/t25-/m1/s1.
What are the key properties of 2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide?
2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide has a molecular weight of 515.08 g/mol, XLogP of 5.76, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide is sourced from PubChem (CID 28636198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).