N-cyclohexyl-4-[ethyl(phenyl)sulfamoyl]-N-methylbenzamide

C22H28N2O3S — CID 17482993

IUPACN-cyclohexyl-4-[ethyl(phenyl)sulfamoyl]-N-methylbenzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C22H28N2O3S/c1-3-24(20-12-8-5-9-13-20)28(26,27)21-16-14-18(15-17-21)22(25)23(2)19-10-6-4-7-11-19/h5,8-9,12-17,19H,3-4,6-7,10-11H2,1-2H3
InChIKeyFPVQBOUOHGEYNW-UHFFFAOYSA-N
MW400.54 g/mol
LogP4.31
Rot. Bonds6

About N-cyclohexyl-4-[ethyl(phenyl)sulfamoyl]-N-methylbenzamide

N-cyclohexyl-4-[ethyl(phenyl)sulfamoyl]-N-methylbenzamide (PubChem CID 17482993) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is N-cyclohexyl-4-[ethyl(phenyl)sulfamoyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[ethyl(phenyl)sulfamoyl]-N-methylbenzamide
PubChem CID17482993
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC NameN-cyclohexyl-4-[ethyl(phenyl)sulfamoyl]-N-methylbenzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C22H28N2O3S/c1-3-24(20-12-8-5-9-13-20)28(26,27)21-16-14-18(15-17-21)22(25)23(2)19-10-6-4-7-11-19/h5,8-9,12-17,19H,3-4,6-7,10-11H2,1-2H3
InChIKeyFPVQBOUOHGEYNW-UHFFFAOYSA-N
XLogP4.31
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-N-ethyl-4-[methyl(phenyl)sulfamoyl]benzamide
CID 24632491
4-[benzenesulfonyl(methyl)amino]-N-cyclopentyl-N-methylbenzamide
CID 99950308
4-[cyclohexyl(methyl)sulfamoyl]-N-cyclopentyl-N-ethylbenzamide
CID 134060936
4-(benzenesulfonamido)-N-cyclohexyl-N-methylbenzamide
CID 28567343
[4-[ethyl(phenyl)sulfamoyl]phenyl] cyclopentanecarboxylate
CID 8502968
4-N-ethyl-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-disulfonamide
CID 26951667
[(1S)-2-oxocyclopentyl] 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2678270
4-[[N-(benzenesulfonyl)-5-chloro-2-methylanilino]methyl]-N-cyclohexyl-N-methylbenzamide
CID 30393057
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 6600800
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-cyclohexyl-N-methylacetamide
CID 26565810
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate
CID 2599059
benzyl 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 16532328

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[ethyl(phenyl)sulfamoyl]-N-methylbenzamide?
The IUPAC name of N-cyclohexyl-4-[ethyl(phenyl)sulfamoyl]-N-methylbenzamide (CID 17482993) is N-cyclohexyl-4-[ethyl(phenyl)sulfamoyl]-N-methylbenzamide.
What is the SMILES notation for N-cyclohexyl-4-[ethyl(phenyl)sulfamoyl]-N-methylbenzamide?
The canonical SMILES for N-cyclohexyl-4-[ethyl(phenyl)sulfamoyl]-N-methylbenzamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N(C)C2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-4-[ethyl(phenyl)sulfamoyl]-N-methylbenzamide?
The InChIKey is FPVQBOUOHGEYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-3-24(20-12-8-5-9-13-20)28(26,27)21-16-14-18(15-17-21)22(25)23(2)19-10-6-4-7-11-19/h5,8-9,12-17,19H,3-4,6-7,10-11H2,1-2H3.
What are the key properties of N-cyclohexyl-4-[ethyl(phenyl)sulfamoyl]-N-methylbenzamide?
N-cyclohexyl-4-[ethyl(phenyl)sulfamoyl]-N-methylbenzamide has a molecular weight of 400.54 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[ethyl(phenyl)sulfamoyl]-N-methylbenzamide is sourced from PubChem (CID 17482993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).