N-[2-(cyclohexylcarbamoyl)phenyl]-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide

C29H33N3O4S — CID 126413886

IUPACN-[2-(cyclohexylcarbamoyl)phenyl]-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NC3CCCCC3)ccc2C)c(C)c1
InChIInChI=1S/C29H33N3O4S/c1-19-13-16-25(21(3)17-19)32-37(35,36)27-18-22(15-14-20(27)2)28(33)31-26-12-8-7-11-24(26)29(34)30-23-9-5-4-6-10-23/h7-8,11-18,23,32H,4-6,9-10H2,1-3H3,(H,30,34)(H,31,33)
InChIKeyHSXNNNSCENNESO-UHFFFAOYSA-N
MW519.67 g/mol
LogP5.73
Rot. Bonds7

About N-[2-(cyclohexylcarbamoyl)phenyl]-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide

N-[2-(cyclohexylcarbamoyl)phenyl]-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide (PubChem CID 126413886) has the molecular formula C29H33N3O4S and a molecular weight of 519.67 g/mol. Its IUPAC name is N-[2-(cyclohexylcarbamoyl)phenyl]-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(cyclohexylcarbamoyl)phenyl]-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
PubChem CID126413886
Molecular FormulaC29H33N3O4S
Molecular Weight519.67 g/mol
Exact Mass519.22
IUPAC NameN-[2-(cyclohexylcarbamoyl)phenyl]-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NC3CCCCC3)ccc2C)c(C)c1
InChIInChI=1S/C29H33N3O4S/c1-19-13-16-25(21(3)17-19)32-37(35,36)27-18-22(15-14-20(27)2)28(33)31-26-12-8-7-11-24(26)29(34)30-23-9-5-4-6-10-23/h7-8,11-18,23,32H,4-6,9-10H2,1-3H3,(H,30,34)(H,31,33)
InChIKeyHSXNNNSCENNESO-UHFFFAOYSA-N
XLogP5.73
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.67
LogP ≤ 55.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 4303867
N-cyclopentyl-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 2223474
N-(2-chlorophenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126385388
N-[2-(cyclohexylcarbamoyl)phenyl]-2,4-dimethylbenzamide
CID 100720174
3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2-fluorophenyl)-4-methylbenzamide
CID 126412201
2-[[3-(cyclohexylsulfamoyl)-4-methylbenzoyl]amino]benzoic acid
CID 1356115
3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2-ethoxyphenyl)-4-methylbenzamide
CID 1260706
N-(3,5-dimethylphenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 3891119
N-cyclohexyl-3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 4316019
N-(2,6-difluorophenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 5184289
N-cyclopropyl-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 7908217
4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 35274603

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylcarbamoyl)phenyl]-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide?
The IUPAC name of N-[2-(cyclohexylcarbamoyl)phenyl]-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide (CID 126413886) is N-[2-(cyclohexylcarbamoyl)phenyl]-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-(cyclohexylcarbamoyl)phenyl]-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide?
The canonical SMILES for N-[2-(cyclohexylcarbamoyl)phenyl]-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide is Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NC3CCCCC3)ccc2C)c(C)c1.
What is the InChIKey of N-[2-(cyclohexylcarbamoyl)phenyl]-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide?
The InChIKey is HSXNNNSCENNESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O4S/c1-19-13-16-25(21(3)17-19)32-37(35,36)27-18-22(15-14-20(27)2)28(33)31-26-12-8-7-11-24(26)29(34)30-23-9-5-4-6-10-23/h7-8,11-18,23,32H,4-6,9-10H2,1-3H3,(H,30,34)(H,31,33).
What are the key properties of N-[2-(cyclohexylcarbamoyl)phenyl]-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide?
N-[2-(cyclohexylcarbamoyl)phenyl]-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide has a molecular weight of 519.67 g/mol, XLogP of 5.73, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylcarbamoyl)phenyl]-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide is sourced from PubChem (CID 126413886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).