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

C24H40N4O4S — CID 55625942

IUPAC2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
SMILESCOc1ccc(C(NC(=O)CN2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)C(C)C)cc1
InChIInChI=1S/C24H40N4O4S/c1-19(2)24(20-10-12-22(32-4)13-11-20)25-23(29)18-27-14-16-28(17-15-27)33(30,31)26(3)21-8-6-5-7-9-21/h10-13,19,21,24H,5-9,14-18H2,1-4H3,(H,25,29)
InChIKeyAGQGDCLLURNWAM-UHFFFAOYSA-N
MW480.68 g/mol
LogP2.64
Rot. Bonds9

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

2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide (PubChem CID 55625942) has the molecular formula C24H40N4O4S and a molecular weight of 480.68 g/mol. Its IUPAC name is 2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide.

Molecular Properties

Compound Name2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
PubChem CID55625942
Molecular FormulaC24H40N4O4S
Molecular Weight480.68 g/mol
Exact Mass480.28
IUPAC Name2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
SMILESCOc1ccc(C(NC(=O)CN2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)C(C)C)cc1
InChIInChI=1S/C24H40N4O4S/c1-19(2)24(20-10-12-22(32-4)13-11-20)25-23(29)18-27-14-16-28(17-15-27)33(30,31)26(3)21-8-6-5-7-9-21/h10-13,19,21,24H,5-9,14-18H2,1-4H3,(H,25,29)
InChIKeyAGQGDCLLURNWAM-UHFFFAOYSA-N
XLogP2.64
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.68
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2-methyl-1-phenylpropyl)acetamide
CID 55625884
2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 86931069
2-(4-hydroxypiperidin-1-yl)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 41335963
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 92763021
2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 46667361
2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 46405623
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 46666038
N-cyclohexyl-4-(4-methoxyphenyl)-N-methylpiperazine-1-sulfonamide
CID 55565914
N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]-2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]acetamide
CID 96504314
N-[bis(4-methoxyphenyl)methyl]-2-[4-(cyclohexylmethyl)piperazin-1-yl]acetamide
CID 55986995
2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 46667413
2-(cyclopropylmethylamino)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119693481

Frequently Asked Questions

What is the IUPAC name of 2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide?
The IUPAC name of 2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide (CID 55625942) is 2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide.
What is the SMILES notation for 2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide?
The canonical SMILES for 2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide is COc1ccc(C(NC(=O)CN2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)C(C)C)cc1.
What is the InChIKey of 2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide?
The InChIKey is AGQGDCLLURNWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N4O4S/c1-19(2)24(20-10-12-22(32-4)13-11-20)25-23(29)18-27-14-16-28(17-15-27)33(30,31)26(3)21-8-6-5-7-9-21/h10-13,19,21,24H,5-9,14-18H2,1-4H3,(H,25,29).
What are the key properties of 2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide?
2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide has a molecular weight of 480.68 g/mol, XLogP of 2.64, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide is sourced from PubChem (CID 55625942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).