N-cyclohexyl-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide

C21H26N2O4S — CID 2598297

IUPACN-cyclohexyl-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NC3CCCCC3)c2)cc1
InChIInChI=1S/C21H26N2O4S/c1-23(18-11-13-19(27-2)14-12-18)28(25,26)20-10-6-7-16(15-20)21(24)22-17-8-4-3-5-9-17/h6-7,10-15,17H,3-5,8-9H2,1-2H3,(H,22,24)
InChIKeyCTYXNQOIVKQRQY-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.58
Rot. Bonds6

About N-cyclohexyl-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide

N-cyclohexyl-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide (PubChem CID 2598297) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-cyclohexyl-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
PubChem CID2598297
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC NameN-cyclohexyl-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NC3CCCCC3)c2)cc1
InChIInChI=1S/C21H26N2O4S/c1-23(18-11-13-19(27-2)14-12-18)28(25,26)20-10-6-7-16(15-20)21(24)22-17-8-4-3-5-9-17/h6-7,10-15,17H,3-5,8-9H2,1-2H3,(H,22,24)
InChIKeyCTYXNQOIVKQRQY-UHFFFAOYSA-N
XLogP3.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide
CID 51156149
N-cyclopentyl-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 9164188
3-(benzamidocarbamoyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 2572195
methyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 8871525
N-cyclopentyl-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide
CID 1294119
3-[methyl-(4-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide
CID 119424382
3-[methyl-(4-methylphenyl)sulfamoyl]-N-piperidin-4-ylbenzamide;hydrochloride
CID 119385924
N-(3-aminopropyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 119407187
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(1-phenylcyclobutyl)benzamide
CID 55461953
N-cyclohexyl-3-[(3-methoxyphenyl)sulfamoyl]benzamide
CID 109063440
3-[benzyl(methyl)sulfamoyl]-N-cyclohexylbenzamide
CID 109063417
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-prop-2-ynylbenzamide
CID 30600851

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
The IUPAC name of N-cyclohexyl-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide (CID 2598297) is N-cyclohexyl-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide.
What is the SMILES notation for N-cyclohexyl-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
The canonical SMILES for N-cyclohexyl-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide is COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NC3CCCCC3)c2)cc1.
What is the InChIKey of N-cyclohexyl-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
The InChIKey is CTYXNQOIVKQRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-23(18-11-13-19(27-2)14-12-18)28(25,26)20-10-6-7-16(15-20)21(24)22-17-8-4-3-5-9-17/h6-7,10-15,17H,3-5,8-9H2,1-2H3,(H,22,24).
What are the key properties of N-cyclohexyl-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
N-cyclohexyl-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide has a molecular weight of 402.52 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide is sourced from PubChem (CID 2598297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).