N-cyclohexyl-4-[(4-methylsulfanylphenyl)sulfonylamino]benzamide

C20H24N2O3S2 — CID 49189674

IUPACN-cyclohexyl-4-[(4-methylsulfanylphenyl)sulfonylamino]benzamide
SMILESCSc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)cc1
InChIInChI=1S/C20H24N2O3S2/c1-26-18-11-13-19(14-12-18)27(24,25)22-17-9-7-15(8-10-17)20(23)21-16-5-3-2-4-6-16/h7-14,16,22H,2-6H2,1H3,(H,21,23)
InChIKeyLEHGRWSUCOVGTE-UHFFFAOYSA-N
MW404.56 g/mol
LogP4.27
Rot. Bonds6

About N-cyclohexyl-4-[(4-methylsulfanylphenyl)sulfonylamino]benzamide

N-cyclohexyl-4-[(4-methylsulfanylphenyl)sulfonylamino]benzamide (PubChem CID 49189674) has the molecular formula C20H24N2O3S2 and a molecular weight of 404.56 g/mol. Its IUPAC name is N-cyclohexyl-4-[(4-methylsulfanylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[(4-methylsulfanylphenyl)sulfonylamino]benzamide
PubChem CID49189674
Molecular FormulaC20H24N2O3S2
Molecular Weight404.56 g/mol
Exact Mass404.12
IUPAC NameN-cyclohexyl-4-[(4-methylsulfanylphenyl)sulfonylamino]benzamide
SMILESCSc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)cc1
InChIInChI=1S/C20H24N2O3S2/c1-26-18-11-13-19(14-12-18)27(24,25)22-17-9-7-15(8-10-17)20(23)21-16-5-3-2-4-6-16/h7-14,16,22H,2-6H2,1H3,(H,21,23)
InChIKeyLEHGRWSUCOVGTE-UHFFFAOYSA-N
XLogP4.27
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-4-methylsulfanylbenzamide
CID 60645846
4-(benzenesulfonamido)-N-cyclooctylbenzamide
CID 24635133
N-cyclohexyl-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 94664243
N-cyclopentyl-4-[[4-[(1S)-1-hydroxyethyl]phenyl]sulfonylamino]benzamide
CID 41105553
N-cyclopentyl-4-[(4-phenylphenyl)sulfonylamino]benzamide
CID 46386307
N-cyclohexyl-4-[(2,6-difluorophenyl)sulfamoyl]benzamide
CID 109059522
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylsulfanylbenzamide
CID 78791501
N-cyclopentyl-4-[[4-(3-methylphenyl)phenyl]sulfonylamino]benzamide
CID 46386260
N-(2-methylbutan-2-yl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzamide
CID 49189146
4-[(4-fluorophenyl)sulfonylamino]-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387628
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 46454888
N-[4-(methylamino)cyclohexyl]-4-methylsulfanylbenzamide
CID 79217136

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[(4-methylsulfanylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-cyclohexyl-4-[(4-methylsulfanylphenyl)sulfonylamino]benzamide (CID 49189674) is N-cyclohexyl-4-[(4-methylsulfanylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-cyclohexyl-4-[(4-methylsulfanylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-cyclohexyl-4-[(4-methylsulfanylphenyl)sulfonylamino]benzamide is CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)cc1.
What is the InChIKey of N-cyclohexyl-4-[(4-methylsulfanylphenyl)sulfonylamino]benzamide?
The InChIKey is LEHGRWSUCOVGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S2/c1-26-18-11-13-19(14-12-18)27(24,25)22-17-9-7-15(8-10-17)20(23)21-16-5-3-2-4-6-16/h7-14,16,22H,2-6H2,1H3,(H,21,23).
What are the key properties of N-cyclohexyl-4-[(4-methylsulfanylphenyl)sulfonylamino]benzamide?
N-cyclohexyl-4-[(4-methylsulfanylphenyl)sulfonylamino]benzamide has a molecular weight of 404.56 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[(4-methylsulfanylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 49189674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).