2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)acetamide

C19H28N4O4S — CID 2107341

IUPAC2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)NC(=O)NC1CCCCC1
InChIInChI=1S/C19H28N4O4S/c24-18(21-19(25)20-16-7-3-1-4-8-16)15-22-11-13-23(14-12-22)28(26,27)17-9-5-2-6-10-17/h2,5-6,9-10,16H,1,3-4,7-8,11-15H2,(H2,20,21,24,25)
InChIKeySJABXKXVRUMLFY-UHFFFAOYSA-N
MW408.52 g/mol
LogP1.15
Rot. Bonds5

About 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)acetamide

2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)acetamide (PubChem CID 2107341) has the molecular formula C19H28N4O4S and a molecular weight of 408.52 g/mol. Its IUPAC name is 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)acetamide
PubChem CID2107341
Molecular FormulaC19H28N4O4S
Molecular Weight408.52 g/mol
Exact Mass408.18
IUPAC Name2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)NC(=O)NC1CCCCC1
InChIInChI=1S/C19H28N4O4S/c24-18(21-19(25)20-16-7-3-1-4-8-16)15-22-11-13-23(14-12-22)28(26,27)17-9-5-2-6-10-17/h2,5-6,9-10,16H,1,3-4,7-8,11-15H2,(H2,20,21,24,25)
InChIKeySJABXKXVRUMLFY-UHFFFAOYSA-N
XLogP1.15
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)acetamide?
The IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)acetamide (CID 2107341) is 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)acetamide is O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)NC(=O)NC1CCCCC1.
What is the InChIKey of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)acetamide?
The InChIKey is SJABXKXVRUMLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4S/c24-18(21-19(25)20-16-7-3-1-4-8-16)15-22-11-13-23(14-12-22)28(26,27)17-9-5-2-6-10-17/h2,5-6,9-10,16H,1,3-4,7-8,11-15H2,(H2,20,21,24,25).
What are the key properties of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)acetamide?
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)acetamide has a molecular weight of 408.52 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)acetamide is sourced from PubChem (CID 2107341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).