2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2-methyl-1-phenylpropyl)acetamide

C23H38N4O3S — CID 55625884

IUPAC2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2-methyl-1-phenylpropyl)acetamide
SMILESCC(C)C(NC(=O)CN1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1)c1ccccc1
InChIInChI=1S/C23H38N4O3S/c1-19(2)23(20-10-6-4-7-11-20)24-22(28)18-26-14-16-27(17-15-26)31(29,30)25(3)21-12-8-5-9-13-21/h4,6-7,10-11,19,21,23H,5,8-9,12-18H2,1-3H3,(H,24,28)
InChIKeyUWMYCZWWFTXXIA-UHFFFAOYSA-N
MW450.65 g/mol
LogP2.63
Rot. Bonds8

About 2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2-methyl-1-phenylpropyl)acetamide

2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2-methyl-1-phenylpropyl)acetamide (PubChem CID 55625884) has the molecular formula C23H38N4O3S and a molecular weight of 450.65 g/mol. Its IUPAC name is 2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2-methyl-1-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2-methyl-1-phenylpropyl)acetamide
PubChem CID55625884
Molecular FormulaC23H38N4O3S
Molecular Weight450.65 g/mol
Exact Mass450.27
IUPAC Name2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2-methyl-1-phenylpropyl)acetamide
SMILESCC(C)C(NC(=O)CN1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1)c1ccccc1
InChIInChI=1S/C23H38N4O3S/c1-19(2)23(20-10-6-4-7-11-20)24-22(28)18-26-14-16-27(17-15-26)31(29,30)25(3)21-12-8-5-9-13-21/h4,6-7,10-11,19,21,23H,5,8-9,12-18H2,1-3H3,(H,24,28)
InChIKeyUWMYCZWWFTXXIA-UHFFFAOYSA-N
XLogP2.63
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.65
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 55625942
2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 86931069
2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 46405623
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]acetamide
CID 55626213
2-(4-aminopiperidin-1-yl)-N-(2-methyl-1-phenylpropyl)acetamide
CID 79322682
N-(2-methyl-1-phenylpropyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 51284732
2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 55626263
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 17428462
ethyl 4-[2-[(2-methyl-1-phenylpropyl)amino]-2-oxoethyl]piperazine-1-carboxylate
CID 46665939
N-(1-acetylpiperidin-4-yl)-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]acetamide
CID 55626303
N-[(R)-cyclopentyl(phenyl)methyl]-2-(4-ethylsulfonylpiperazin-1-yl)acetamide
CID 129367856
2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55626242

Frequently Asked Questions

What is the IUPAC name of 2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2-methyl-1-phenylpropyl)acetamide?
The IUPAC name of 2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2-methyl-1-phenylpropyl)acetamide (CID 55625884) is 2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2-methyl-1-phenylpropyl)acetamide.
What is the SMILES notation for 2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2-methyl-1-phenylpropyl)acetamide?
The canonical SMILES for 2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2-methyl-1-phenylpropyl)acetamide is CC(C)C(NC(=O)CN1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1)c1ccccc1.
What is the InChIKey of 2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2-methyl-1-phenylpropyl)acetamide?
The InChIKey is UWMYCZWWFTXXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N4O3S/c1-19(2)23(20-10-6-4-7-11-20)24-22(28)18-26-14-16-27(17-15-26)31(29,30)25(3)21-12-8-5-9-13-21/h4,6-7,10-11,19,21,23H,5,8-9,12-18H2,1-3H3,(H,24,28).
What are the key properties of 2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2-methyl-1-phenylpropyl)acetamide?
2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2-methyl-1-phenylpropyl)acetamide has a molecular weight of 450.65 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2-methyl-1-phenylpropyl)acetamide is sourced from PubChem (CID 55625884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).