N-cyclohexyl-N,4-dimethyl-3-[(2-methylphenyl)sulfamoyl]benzamide

C22H28N2O3S — CID 92685908

IUPACN-cyclohexyl-N,4-dimethyl-3-[(2-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1cc(C(=O)N(C)C2CCCCC2)ccc1C
InChIInChI=1S/C22H28N2O3S/c1-16-9-7-8-12-20(16)23-28(26,27)21-15-18(14-13-17(21)2)22(25)24(3)19-10-5-4-6-11-19/h7-9,12-15,19,23H,4-6,10-11H2,1-3H3
InChIKeyGCIPHVJPJHRODO-UHFFFAOYSA-N
MW400.54 g/mol
LogP4.51
Rot. Bonds5

About N-cyclohexyl-N,4-dimethyl-3-[(2-methylphenyl)sulfamoyl]benzamide

N-cyclohexyl-N,4-dimethyl-3-[(2-methylphenyl)sulfamoyl]benzamide (PubChem CID 92685908) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is N-cyclohexyl-N,4-dimethyl-3-[(2-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-N,4-dimethyl-3-[(2-methylphenyl)sulfamoyl]benzamide
PubChem CID92685908
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC NameN-cyclohexyl-N,4-dimethyl-3-[(2-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1cc(C(=O)N(C)C2CCCCC2)ccc1C
InChIInChI=1S/C22H28N2O3S/c1-16-9-7-8-12-20(16)23-28(26,27)21-15-18(14-13-17(21)2)22(25)24(3)19-10-5-4-6-11-19/h7-9,12-15,19,23H,4-6,10-11H2,1-3H3
InChIKeyGCIPHVJPJHRODO-UHFFFAOYSA-N
XLogP4.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-3-[(2,5-dimethylphenyl)sulfamoyl]-N,4-dimethylbenzamide
CID 46771981
N-cyclopentyl-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 2223474
3-(cyclopentylsulfamoyl)-N,4-dimethyl-N-piperidin-4-ylbenzamide
CID 119442848
N,4-dimethyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 3581351
4-(benzenesulfonamido)-N-cyclohexyl-N-methylbenzamide
CID 28567343
3-(benzenesulfonamido)-N-cyclohexyl-N-methylbenzamide
CID 27670732
3-(benzylsulfamoyl)-4-chloro-N-cyclohexyl-N-methylbenzamide
CID 25471701
1-cyclohexyl-1-methyl-3-(2-methylphenyl)urea
CID 5051501
N-(2-cyclohexylsulfanylethyl)-3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 4686670
N-cyclohexyl-3-(methanesulfonamido)-N-methylbenzamide
CID 51274732
N-[2-(cyclohexylcarbamoyl)phenyl]-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126413886
3-[[4-[[(4-cyclohexylcyclohexyl)-[[4-methyl-3-[(2-methylphenyl)sulfamoyl]phenyl]carbamoyl]amino]methyl]benzoyl]amino]propanoic acid
CID 67487597

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N,4-dimethyl-3-[(2-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-cyclohexyl-N,4-dimethyl-3-[(2-methylphenyl)sulfamoyl]benzamide (CID 92685908) is N-cyclohexyl-N,4-dimethyl-3-[(2-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-cyclohexyl-N,4-dimethyl-3-[(2-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-cyclohexyl-N,4-dimethyl-3-[(2-methylphenyl)sulfamoyl]benzamide is Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N(C)C2CCCCC2)ccc1C.
What is the InChIKey of N-cyclohexyl-N,4-dimethyl-3-[(2-methylphenyl)sulfamoyl]benzamide?
The InChIKey is GCIPHVJPJHRODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-16-9-7-8-12-20(16)23-28(26,27)21-15-18(14-13-17(21)2)22(25)24(3)19-10-5-4-6-11-19/h7-9,12-15,19,23H,4-6,10-11H2,1-3H3.
What are the key properties of N-cyclohexyl-N,4-dimethyl-3-[(2-methylphenyl)sulfamoyl]benzamide?
N-cyclohexyl-N,4-dimethyl-3-[(2-methylphenyl)sulfamoyl]benzamide has a molecular weight of 400.54 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N,4-dimethyl-3-[(2-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 92685908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).