4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide

C27H31ClN2O4S — CID 94020007

IUPAC4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
SMILESCOc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)cc1
InChIInChI=1S/C27H31ClN2O4S/c1-17(2)14-25(20-7-11-23(34-5)12-8-20)29-27(31)21-9-13-24(28)26(16-21)35(32,33)30-22-10-6-18(3)19(4)15-22/h6-13,15-17,25,30H,14H2,1-5H3,(H,29,31)/t25-/m1/s1
InChIKeyGVJQXEBOFOVOAU-RUZDIDTESA-N
MW515.08 g/mol
LogP6.28
Rot. Bonds9

About 4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide

4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide (PubChem CID 94020007) has the molecular formula C27H31ClN2O4S and a molecular weight of 515.08 g/mol. Its IUPAC name is 4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
PubChem CID94020007
Molecular FormulaC27H31ClN2O4S
Molecular Weight515.08 g/mol
Exact Mass514.17
IUPAC Name4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
SMILESCOc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)cc1
InChIInChI=1S/C27H31ClN2O4S/c1-17(2)14-25(20-7-11-23(34-5)12-8-20)29-27(31)21-9-13-24(28)26(16-21)35(32,33)30-22-10-6-18(3)19(4)15-22/h6-13,15-17,25,30H,14H2,1-5H3,(H,29,31)/t25-/m1/s1
InChIKeyGVJQXEBOFOVOAU-RUZDIDTESA-N
XLogP6.28
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.08
LogP ≤ 56.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide with MolForge

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Related Compounds

4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 93486374
N-[1-(4-methoxyphenyl)-3-methylbutyl]-3,4-dimethylbenzamide
CID 133202746
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 24539437
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[(1R)-1-phenylpropyl]benzamide
CID 94012391
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 92676897
4-chloro-N-(2,4-dimethylpentan-3-yl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 126413394
4-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide
CID 99951817
3-(methanesulfonamido)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 28566637
4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 92675230
N-[(1R)-1-(4-methoxyphenyl)propyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 92686080
4-chloro-N-(3,4-dimethylphenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 3525089
N-[1-(4-methoxyphenyl)-3-methylbutyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 132616821

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide?
The IUPAC name of 4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide (CID 94020007) is 4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide.
What is the SMILES notation for 4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide?
The canonical SMILES for 4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide is COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)cc1.
What is the InChIKey of 4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide?
The InChIKey is GVJQXEBOFOVOAU-RUZDIDTESA-N. The full InChI is InChI=1S/C27H31ClN2O4S/c1-17(2)14-25(20-7-11-23(34-5)12-8-20)29-27(31)21-9-13-24(28)26(16-21)35(32,33)30-22-10-6-18(3)19(4)15-22/h6-13,15-17,25,30H,14H2,1-5H3,(H,29,31)/t25-/m1/s1.
What are the key properties of 4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide?
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide has a molecular weight of 515.08 g/mol, XLogP of 6.28, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide is sourced from PubChem (CID 94020007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).