4-[cyclohexyl(methyl)sulfamoyl]-N-[4-(2-methylpropanoylamino)phenyl]piperazine-1-carboxamide

C22H35N5O4S — CID 55699202

IUPAC4-[cyclohexyl(methyl)sulfamoyl]-N-[4-(2-methylpropanoylamino)phenyl]piperazine-1-carboxamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)cc1
InChIInChI=1S/C22H35N5O4S/c1-17(2)21(28)23-18-9-11-19(12-10-18)24-22(29)26-13-15-27(16-14-26)32(30,31)25(3)20-7-5-4-6-8-20/h9-12,17,20H,4-8,13-16H2,1-3H3,(H,23,28)(H,24,29)
InChIKeyKCDGOXSYLGDHLN-UHFFFAOYSA-N
MW465.62 g/mol
LogP2.94
Rot. Bonds6

About 4-[cyclohexyl(methyl)sulfamoyl]-N-[4-(2-methylpropanoylamino)phenyl]piperazine-1-carboxamide

4-[cyclohexyl(methyl)sulfamoyl]-N-[4-(2-methylpropanoylamino)phenyl]piperazine-1-carboxamide (PubChem CID 55699202) has the molecular formula C22H35N5O4S and a molecular weight of 465.62 g/mol. Its IUPAC name is 4-[cyclohexyl(methyl)sulfamoyl]-N-[4-(2-methylpropanoylamino)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[cyclohexyl(methyl)sulfamoyl]-N-[4-(2-methylpropanoylamino)phenyl]piperazine-1-carboxamide
PubChem CID55699202
Molecular FormulaC22H35N5O4S
Molecular Weight465.62 g/mol
Exact Mass465.24
IUPAC Name4-[cyclohexyl(methyl)sulfamoyl]-N-[4-(2-methylpropanoylamino)phenyl]piperazine-1-carboxamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)cc1
InChIInChI=1S/C22H35N5O4S/c1-17(2)21(28)23-18-9-11-19(12-10-18)24-22(29)26-13-15-27(16-14-26)32(30,31)25(3)20-7-5-4-6-8-20/h9-12,17,20H,4-8,13-16H2,1-3H3,(H,23,28)(H,24,29)
InChIKeyKCDGOXSYLGDHLN-UHFFFAOYSA-N
XLogP2.94
TPSA102.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.62
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-[cyclohexyl(methyl)sulfamoyl]piperazine-1-carbonyl]phenyl]-2-methylpropanamide
CID 55609615
4-[cyclohexyl(methyl)sulfamoyl]-N-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 55696513
4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 55696935
4-[cyclohexyl(methyl)sulfamoyl]-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide
CID 55697672
4-(2-aminopropanoyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide
CID 119292580
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-(3-cyanophenyl)-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide
CID 55625903
4-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-cyclohexyl-N-methylpiperazine-1-sulfonamide
CID 119729430
methyl 4-[4-[cyclohexyl(methyl)sulfamoyl]piperazine-1-carbonyl]benzoate
CID 55599328
4-(2-amino-3-methylpentanoyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide
CID 119729438
4-(4-aminopentanoyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide;hydrochloride
CID 120560520

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(methyl)sulfamoyl]-N-[4-(2-methylpropanoylamino)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-[cyclohexyl(methyl)sulfamoyl]-N-[4-(2-methylpropanoylamino)phenyl]piperazine-1-carboxamide (CID 55699202) is 4-[cyclohexyl(methyl)sulfamoyl]-N-[4-(2-methylpropanoylamino)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[cyclohexyl(methyl)sulfamoyl]-N-[4-(2-methylpropanoylamino)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[cyclohexyl(methyl)sulfamoyl]-N-[4-(2-methylpropanoylamino)phenyl]piperazine-1-carboxamide is CC(C)C(=O)Nc1ccc(NC(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)cc1.
What is the InChIKey of 4-[cyclohexyl(methyl)sulfamoyl]-N-[4-(2-methylpropanoylamino)phenyl]piperazine-1-carboxamide?
The InChIKey is KCDGOXSYLGDHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5O4S/c1-17(2)21(28)23-18-9-11-19(12-10-18)24-22(29)26-13-15-27(16-14-26)32(30,31)25(3)20-7-5-4-6-8-20/h9-12,17,20H,4-8,13-16H2,1-3H3,(H,23,28)(H,24,29).
What are the key properties of 4-[cyclohexyl(methyl)sulfamoyl]-N-[4-(2-methylpropanoylamino)phenyl]piperazine-1-carboxamide?
4-[cyclohexyl(methyl)sulfamoyl]-N-[4-(2-methylpropanoylamino)phenyl]piperazine-1-carboxamide has a molecular weight of 465.62 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(methyl)sulfamoyl]-N-[4-(2-methylpropanoylamino)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 55699202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).