N-cyclohexyl-N-ethyl-4-[methyl(phenyl)sulfamoyl]benzamide

C22H28N2O3S — CID 24632491

IUPACN-cyclohexyl-N-ethyl-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESCCN(C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)C1CCCCC1
InChIInChI=1S/C22H28N2O3S/c1-3-24(20-12-8-5-9-13-20)22(25)18-14-16-21(17-15-18)28(26,27)23(2)19-10-6-4-7-11-19/h4,6-7,10-11,14-17,20H,3,5,8-9,12-13H2,1-2H3
InChIKeyCTHHYZOBAQBDGF-UHFFFAOYSA-N
MW400.54 g/mol
LogP4.31
Rot. Bonds6

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

N-cyclohexyl-N-ethyl-4-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 24632491) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-4-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-4-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID24632491
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC NameN-cyclohexyl-N-ethyl-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESCCN(C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)C1CCCCC1
InChIInChI=1S/C22H28N2O3S/c1-3-24(20-12-8-5-9-13-20)22(25)18-14-16-21(17-15-18)28(26,27)23(2)19-10-6-4-7-11-19/h4,6-7,10-11,14-17,20H,3,5,8-9,12-13H2,1-2H3
InChIKeyCTHHYZOBAQBDGF-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

4-[cyclohexyl(methyl)sulfamoyl]-N-cyclopentyl-N-ethylbenzamide
CID 134060936
N-cyclohexyl-4-[ethyl(phenyl)sulfamoyl]-N-methylbenzamide
CID 17482993
4-[benzenesulfonyl(methyl)amino]-N-cyclopentyl-N-methylbenzamide
CID 99950308
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate
CID 2599059
N-benzyl-N-ethyl-4-[methyl(phenyl)sulfamoyl]benzamide
CID 9098551
N-methyl-4-[methyl(phenyl)sulfamoyl]-N-phenylbenzamide
CID 21236527
N-butyl-4-[methyl(phenyl)sulfamoyl]-N-phenylbenzamide
CID 8839615
N-(1-aminopropan-2-yl)-N-methyl-4-[methyl(phenyl)sulfamoyl]benzamide
CID 119583533
4-[methyl(phenyl)sulfamoyl]-N-propylbenzamide
CID 2432115
N-cyclopentyl-N-ethyl-4-(methylamino)benzamide
CID 62169892
4-[methyl(phenyl)sulfamoyl]-N,N-bis(prop-2-enyl)benzamide
CID 78784352
N-ethyl-3-[methyl(phenyl)sulfamoyl]-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]benzamide
CID 52908504

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-4-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-cyclohexyl-N-ethyl-4-[methyl(phenyl)sulfamoyl]benzamide (CID 24632491) is N-cyclohexyl-N-ethyl-4-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-4-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-4-[methyl(phenyl)sulfamoyl]benzamide is CCN(C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-4-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is CTHHYZOBAQBDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-3-24(20-12-8-5-9-13-20)22(25)18-14-16-21(17-15-18)28(26,27)23(2)19-10-6-4-7-11-19/h4,6-7,10-11,14-17,20H,3,5,8-9,12-13H2,1-2H3.
What are the key properties of N-cyclohexyl-N-ethyl-4-[methyl(phenyl)sulfamoyl]benzamide?
N-cyclohexyl-N-ethyl-4-[methyl(phenyl)sulfamoyl]benzamide 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-N-ethyl-4-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 24632491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).