2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(cyclohexylcarbamoyl)acetamide

C20H27N5O4S — CID 24983005

IUPAC2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(cyclohexylcarbamoyl)acetamide
SMILESN#Cc1ccccc1S(=O)(=O)N1CCN(CC(=O)NC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C20H27N5O4S/c21-14-16-6-4-5-9-18(16)30(28,29)25-12-10-24(11-13-25)15-19(26)23-20(27)22-17-7-2-1-3-8-17/h4-6,9,17H,1-3,7-8,10-13,15H2,(H2,22,23,26,27)
InChIKeyTWZVIFGESSFDIZ-UHFFFAOYSA-N
MW433.53 g/mol
LogP1.02
Rot. Bonds5

About 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(cyclohexylcarbamoyl)acetamide

2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(cyclohexylcarbamoyl)acetamide (PubChem CID 24983005) has the molecular formula C20H27N5O4S and a molecular weight of 433.53 g/mol. Its IUPAC name is 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(cyclohexylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(cyclohexylcarbamoyl)acetamide
PubChem CID24983005
Molecular FormulaC20H27N5O4S
Molecular Weight433.53 g/mol
Exact Mass433.18
IUPAC Name2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(cyclohexylcarbamoyl)acetamide
SMILESN#Cc1ccccc1S(=O)(=O)N1CCN(CC(=O)NC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C20H27N5O4S/c21-14-16-6-4-5-9-18(16)30(28,29)25-12-10-24(11-13-25)15-19(26)23-20(27)22-17-7-2-1-3-8-17/h4-6,9,17H,1-3,7-8,10-13,15H2,(H2,22,23,26,27)
InChIKeyTWZVIFGESSFDIZ-UHFFFAOYSA-N
XLogP1.02
TPSA122.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(cyclohexylcarbamoyl)acetamide?
The IUPAC name of 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(cyclohexylcarbamoyl)acetamide (CID 24983005) is 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(cyclohexylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(cyclohexylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(cyclohexylcarbamoyl)acetamide is N#Cc1ccccc1S(=O)(=O)N1CCN(CC(=O)NC(=O)NC2CCCCC2)CC1.
What is the InChIKey of 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(cyclohexylcarbamoyl)acetamide?
The InChIKey is TWZVIFGESSFDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O4S/c21-14-16-6-4-5-9-18(16)30(28,29)25-12-10-24(11-13-25)15-19(26)23-20(27)22-17-7-2-1-3-8-17/h4-6,9,17H,1-3,7-8,10-13,15H2,(H2,22,23,26,27).
What are the key properties of 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(cyclohexylcarbamoyl)acetamide?
2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(cyclohexylcarbamoyl)acetamide has a molecular weight of 433.53 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(cyclohexylcarbamoyl)acetamide is sourced from PubChem (CID 24983005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).