2-(4-benzylsulfonylpiperazin-1-yl)-N-(cyclopropylcarbamoyl)acetamide

C17H24N4O4S — CID 9443334

IUPAC2-(4-benzylsulfonylpiperazin-1-yl)-N-(cyclopropylcarbamoyl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)Cc2ccccc2)CC1)NC(=O)NC1CC1
InChIInChI=1S/C17H24N4O4S/c22-16(19-17(23)18-15-6-7-15)12-20-8-10-21(11-9-20)26(24,25)13-14-4-2-1-3-5-14/h1-5,15H,6-13H2,(H2,18,19,22,23)
InChIKeyAZNUKJHZICOMHC-UHFFFAOYSA-N
MW380.47 g/mol
LogP0.12
Rot. Bonds6

About 2-(4-benzylsulfonylpiperazin-1-yl)-N-(cyclopropylcarbamoyl)acetamide

2-(4-benzylsulfonylpiperazin-1-yl)-N-(cyclopropylcarbamoyl)acetamide (PubChem CID 9443334) has the molecular formula C17H24N4O4S and a molecular weight of 380.47 g/mol. Its IUPAC name is 2-(4-benzylsulfonylpiperazin-1-yl)-N-(cyclopropylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4-benzylsulfonylpiperazin-1-yl)-N-(cyclopropylcarbamoyl)acetamide
PubChem CID9443334
Molecular FormulaC17H24N4O4S
Molecular Weight380.47 g/mol
Exact Mass380.15
IUPAC Name2-(4-benzylsulfonylpiperazin-1-yl)-N-(cyclopropylcarbamoyl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)Cc2ccccc2)CC1)NC(=O)NC1CC1
InChIInChI=1S/C17H24N4O4S/c22-16(19-17(23)18-15-6-7-15)12-20-8-10-21(11-9-20)26(24,25)13-14-4-2-1-3-5-14/h1-5,15H,6-13H2,(H2,18,19,22,23)
InChIKeyAZNUKJHZICOMHC-UHFFFAOYSA-N
XLogP0.12
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(cyclopropylcarbamoyl)acetamide
CID 9443333
2-(4-benzoylpiperazin-1-yl)-N-(cyclopropylcarbamoyl)acetamide
CID 9223376
2-(4-benzylsulfonylpiperazin-1-yl)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 9443779
1-(1-benzylsulfonylpiperidin-4-yl)-3-propan-2-ylurea
CID 110823299
2-(4-benzylsulfonylpiperazin-1-yl)-N-(4-tert-butylphenyl)acetamide
CID 9443469
N-(cyclopentylcarbamoyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 8749172
2-(4-benzylsulfonylpiperazin-1-yl)-N-(2,6-dichlorophenyl)acetamide
CID 17487617
2-(4-benzylsulfonylpiperazin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 8694091
(2S)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-cyclopropylpropanamide
CID 8711888
2-(4-benzylsulfonylpiperazin-1-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 55832362
2-(4-acetylpiperazin-1-yl)-1-(4-benzylsulfonylpiperazin-1-yl)ethanone
CID 26552718
4-amino-N-(1-benzylsulfonylpiperidin-4-yl)butanamide
CID 119330438

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylsulfonylpiperazin-1-yl)-N-(cyclopropylcarbamoyl)acetamide?
The IUPAC name of 2-(4-benzylsulfonylpiperazin-1-yl)-N-(cyclopropylcarbamoyl)acetamide (CID 9443334) is 2-(4-benzylsulfonylpiperazin-1-yl)-N-(cyclopropylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4-benzylsulfonylpiperazin-1-yl)-N-(cyclopropylcarbamoyl)acetamide?
The canonical SMILES for 2-(4-benzylsulfonylpiperazin-1-yl)-N-(cyclopropylcarbamoyl)acetamide is O=C(CN1CCN(S(=O)(=O)Cc2ccccc2)CC1)NC(=O)NC1CC1.
What is the InChIKey of 2-(4-benzylsulfonylpiperazin-1-yl)-N-(cyclopropylcarbamoyl)acetamide?
The InChIKey is AZNUKJHZICOMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4S/c22-16(19-17(23)18-15-6-7-15)12-20-8-10-21(11-9-20)26(24,25)13-14-4-2-1-3-5-14/h1-5,15H,6-13H2,(H2,18,19,22,23).
What are the key properties of 2-(4-benzylsulfonylpiperazin-1-yl)-N-(cyclopropylcarbamoyl)acetamide?
2-(4-benzylsulfonylpiperazin-1-yl)-N-(cyclopropylcarbamoyl)acetamide has a molecular weight of 380.47 g/mol, XLogP of 0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylsulfonylpiperazin-1-yl)-N-(cyclopropylcarbamoyl)acetamide is sourced from PubChem (CID 9443334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).