N-cyclohexyl-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide

C21H26N2O4S — CID 46556722

IUPACN-cyclohexyl-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(C(=O)NC2CCCCC2)cc1S(=O)(=O)Nc1ccc(C)cc1
InChIInChI=1S/C21H26N2O4S/c1-15-8-11-18(12-9-15)23-28(25,26)20-14-16(10-13-19(20)27-2)21(24)22-17-6-4-3-5-7-17/h8-14,17,23H,3-7H2,1-2H3,(H,22,24)
InChIKeyJXKGVBTYLQCAFO-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.87
Rot. Bonds6

About N-cyclohexyl-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide

N-cyclohexyl-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 46556722) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-cyclohexyl-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
PubChem CID46556722
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC NameN-cyclohexyl-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(C(=O)NC2CCCCC2)cc1S(=O)(=O)Nc1ccc(C)cc1
InChIInChI=1S/C21H26N2O4S/c1-15-8-11-18(12-9-15)23-28(25,26)20-14-16(10-13-19(20)27-2)21(24)22-17-6-4-3-5-7-17/h8-14,17,23H,3-7H2,1-2H3,(H,22,24)
InChIKeyJXKGVBTYLQCAFO-UHFFFAOYSA-N
XLogP3.87
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9164185
3-[(4-bromophenyl)sulfamoyl]-N-cyclohexyl-4-methoxybenzamide
CID 55346445
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 31098428
3-(tert-butylsulfamoyl)-N-cycloheptyl-4-methoxybenzamide
CID 26516485
N-cyclohexyl-3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 4316019
N-cyclohexyl-4-methoxy-3-sulfamoylbenzamide
CID 60635033
5-(cyclohexylcarbamoyl)-2-methoxybenzenesulfonyl chloride
CID 65366957
N-cyclohexyl-4-methoxy-3-(quinolin-3-ylsulfamoyl)benzamide
CID 56684157
3-(cyclopentylsulfamoyl)-4-methoxy-N-(4-methylcyclohexyl)benzamide
CID 2579929
4-methoxy-N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55960480
4-methoxy-N-[3-(2-methoxyethoxy)propyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55408011
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-cyclohexyl-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide (CID 46556722) is N-cyclohexyl-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-cyclohexyl-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-cyclohexyl-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide is COc1ccc(C(=O)NC2CCCCC2)cc1S(=O)(=O)Nc1ccc(C)cc1.
What is the InChIKey of N-cyclohexyl-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is JXKGVBTYLQCAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-15-8-11-18(12-9-15)23-28(25,26)20-14-16(10-13-19(20)27-2)21(24)22-17-6-4-3-5-7-17/h8-14,17,23H,3-7H2,1-2H3,(H,22,24).
What are the key properties of N-cyclohexyl-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide?
N-cyclohexyl-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide has a molecular weight of 402.52 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 46556722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).