N-(cyclohexylmethyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide

C21H26N2O4S — CID 2083250

IUPACN-(cyclohexylmethyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NCC3CCCCC3)cc2)cc1
InChIInChI=1S/C21H26N2O4S/c1-27-19-11-9-18(10-12-19)23-28(25,26)20-13-7-17(8-14-20)21(24)22-15-16-5-3-2-4-6-16/h7-14,16,23H,2-6,15H2,1H3,(H,22,24)
InChIKeyZKZIPQCXPSFFOE-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.81
Rot. Bonds7

About N-(cyclohexylmethyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide

N-(cyclohexylmethyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide (PubChem CID 2083250) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
PubChem CID2083250
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC NameN-(cyclohexylmethyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NCC3CCCCC3)cc2)cc1
InChIInChI=1S/C21H26N2O4S/c1-27-19-11-9-18(10-12-19)23-28(25,26)20-13-7-17(8-14-20)21(24)22-15-16-5-3-2-4-6-16/h7-14,16,23H,2-6,15H2,1H3,(H,22,24)
InChIKeyZKZIPQCXPSFFOE-UHFFFAOYSA-N
XLogP3.81
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 94664243
N-[2-(azepan-1-yl)ethyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 37297933
4-[(4-methoxyphenyl)sulfamoyl]-N-[3-(methylamino)propyl]benzamide
CID 119431352
N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24683129
N-[2-[di(propan-2-yl)amino]ethyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 25466941
N-[(2R)-2-bicyclo[2.2.1]heptanyl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 133203505
4-[(4-methylphenyl)sulfamoyl]-N-(piperidin-3-ylmethyl)benzamide
CID 119462922
N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 103691139
4-[(4-methoxyphenyl)sulfamoyl]-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide
CID 49396012
4-acetamido-N-(cyclohexylmethyl)benzamide
CID 2096141
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]cyclopentanecarboxamide
CID 2649885
N-[2-[4-[(4-chlorophenyl)sulfamoyl]anilino]-2-oxoethyl]-4-methoxybenzamide
CID 2447787

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(cyclohexylmethyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide (CID 2083250) is N-(cyclohexylmethyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(cyclohexylmethyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(cyclohexylmethyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide is COc1ccc(NS(=O)(=O)c2ccc(C(=O)NCC3CCCCC3)cc2)cc1.
What is the InChIKey of N-(cyclohexylmethyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide?
The InChIKey is ZKZIPQCXPSFFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-27-19-11-9-18(10-12-19)23-28(25,26)20-13-7-17(8-14-20)21(24)22-15-16-5-3-2-4-6-16/h7-14,16,23H,2-6,15H2,1H3,(H,22,24).
What are the key properties of N-(cyclohexylmethyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide?
N-(cyclohexylmethyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide has a molecular weight of 402.52 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 2083250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).