4-[cyclohexyl(methyl)sulfamoyl]-N-(3,5-dimethylphenyl)piperazine-1-carboxamide

C20H32N4O3S — CID 55696513

IUPAC4-[cyclohexyl(methyl)sulfamoyl]-N-(3,5-dimethylphenyl)piperazine-1-carboxamide
SMILESCc1cc(C)cc(NC(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)c1
InChIInChI=1S/C20H32N4O3S/c1-16-13-17(2)15-18(14-16)21-20(25)23-9-11-24(12-10-23)28(26,27)22(3)19-7-5-4-6-8-19/h13-15,19H,4-12H2,1-3H3,(H,21,25)
InChIKeySSXQICJHBJODDK-UHFFFAOYSA-N
MW408.57 g/mol
LogP2.96
Rot. Bonds4

About 4-[cyclohexyl(methyl)sulfamoyl]-N-(3,5-dimethylphenyl)piperazine-1-carboxamide

4-[cyclohexyl(methyl)sulfamoyl]-N-(3,5-dimethylphenyl)piperazine-1-carboxamide (PubChem CID 55696513) has the molecular formula C20H32N4O3S and a molecular weight of 408.57 g/mol. Its IUPAC name is 4-[cyclohexyl(methyl)sulfamoyl]-N-(3,5-dimethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[cyclohexyl(methyl)sulfamoyl]-N-(3,5-dimethylphenyl)piperazine-1-carboxamide
PubChem CID55696513
Molecular FormulaC20H32N4O3S
Molecular Weight408.57 g/mol
Exact Mass408.22
IUPAC Name4-[cyclohexyl(methyl)sulfamoyl]-N-(3,5-dimethylphenyl)piperazine-1-carboxamide
SMILESCc1cc(C)cc(NC(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)c1
InChIInChI=1S/C20H32N4O3S/c1-16-13-17(2)15-18(14-16)21-20(25)23-9-11-24(12-10-23)28(26,27)22(3)19-7-5-4-6-8-19/h13-15,19H,4-12H2,1-3H3,(H,21,25)
InChIKeySSXQICJHBJODDK-UHFFFAOYSA-N
XLogP2.96
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[cyclohexyl(methyl)sulfamoyl]-N-[4-(2-methylpropanoylamino)phenyl]piperazine-1-carboxamide
CID 55699202
4-[cyclohexyl(methyl)sulfamoyl]-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide
CID 55697672
4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 55696935
3-[[4-[cyclohexyl(methyl)sulfamoyl]piperazine-1-carbonyl]amino]propanoic acid
CID 122019342
4-[cyclohexyl(methyl)sulfamoyl]-N-(oxan-4-yl)piperazine-1-carboxamide
CID 128943193
N-[4-[4-[cyclohexyl(methyl)sulfamoyl]piperazine-1-carbonyl]phenyl]-2-methylpropanamide
CID 55609615
4-(2-aminopropanoyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide
CID 119292580
methyl 4-[4-[cyclohexyl(methyl)sulfamoyl]piperazine-1-carbonyl]benzoate
CID 55599328
N-(3,5-dimethylphenyl)-4-(4-fluorophenyl)sulfonylpiperazine-1-carboxamide
CID 6467928
4-[cyclohexyl(methyl)sulfamoyl]-N-[2-[2-(diethylamino)ethoxy]phenyl]piperazine-1-carboxamide
CID 55698385
N-cyclohexyl-N-methyl-4-[3-(4-methylphenyl)thiophene-2-carbonyl]piperazine-1-sulfonamide
CID 55599951
4-(1-aminocyclopentanecarbonyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide;hydrochloride
CID 119292583

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(methyl)sulfamoyl]-N-(3,5-dimethylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[cyclohexyl(methyl)sulfamoyl]-N-(3,5-dimethylphenyl)piperazine-1-carboxamide (CID 55696513) is 4-[cyclohexyl(methyl)sulfamoyl]-N-(3,5-dimethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[cyclohexyl(methyl)sulfamoyl]-N-(3,5-dimethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[cyclohexyl(methyl)sulfamoyl]-N-(3,5-dimethylphenyl)piperazine-1-carboxamide is Cc1cc(C)cc(NC(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)c1.
What is the InChIKey of 4-[cyclohexyl(methyl)sulfamoyl]-N-(3,5-dimethylphenyl)piperazine-1-carboxamide?
The InChIKey is SSXQICJHBJODDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3S/c1-16-13-17(2)15-18(14-16)21-20(25)23-9-11-24(12-10-23)28(26,27)22(3)19-7-5-4-6-8-19/h13-15,19H,4-12H2,1-3H3,(H,21,25).
What are the key properties of 4-[cyclohexyl(methyl)sulfamoyl]-N-(3,5-dimethylphenyl)piperazine-1-carboxamide?
4-[cyclohexyl(methyl)sulfamoyl]-N-(3,5-dimethylphenyl)piperazine-1-carboxamide has a molecular weight of 408.57 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(methyl)sulfamoyl]-N-(3,5-dimethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 55696513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).