2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide

C20H27N5O3S — CID 9438130

IUPAC2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1ccnn1C1CCCC1
InChIInChI=1S/C20H27N5O3S/c26-20(22-19-10-11-21-25(19)17-6-4-5-7-17)16-23-12-14-24(15-13-23)29(27,28)18-8-2-1-3-9-18/h1-3,8-11,17H,4-7,12-16H2,(H,22,26)
InChIKeyZZINUSTVWSDPCY-UHFFFAOYSA-N
MW417.54 g/mol
LogP1.94
Rot. Bonds6

About 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide

2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide (PubChem CID 9438130) has the molecular formula C20H27N5O3S and a molecular weight of 417.54 g/mol. Its IUPAC name is 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide
PubChem CID9438130
Molecular FormulaC20H27N5O3S
Molecular Weight417.54 g/mol
Exact Mass417.18
IUPAC Name2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1ccnn1C1CCCC1
InChIInChI=1S/C20H27N5O3S/c26-20(22-19-10-11-21-25(19)17-6-4-5-7-17)16-23-12-14-24(15-13-23)29(27,28)18-8-2-1-3-9-18/h1-3,8-11,17H,4-7,12-16H2,(H,22,26)
InChIKeyZZINUSTVWSDPCY-UHFFFAOYSA-N
XLogP1.94
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.54
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-cyclopentylpyrazol-3-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30666713
N-(2-cyclopentylpyrazol-3-yl)-2-(N-methylanilino)acetamide
CID 51224525
2-(benzotriazol-2-yl)-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 134702607
ethyl 1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 8772836
N-(2-cyclopentylpyrazol-3-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 46613977
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 37407972
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide;dihydrochloride
CID 120760755
N-(2-cyclopentylpyrazol-3-yl)-2-phenylsulfanylacetamide
CID 31235798
2-(benzhydrylamino)-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 8596124
(2S)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119910318
N-(2-cyclopentylpyrazol-3-yl)-2-[N-(2-hydroxyethyl)anilino]acetamide
CID 110881459
2-[(3S)-4-acetyl-3-(2-methoxyphenyl)piperazin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 124991590

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide (CID 9438130) is 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide is O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1ccnn1C1CCCC1.
What is the InChIKey of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide?
The InChIKey is ZZINUSTVWSDPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3S/c26-20(22-19-10-11-21-25(19)17-6-4-5-7-17)16-23-12-14-24(15-13-23)29(27,28)18-8-2-1-3-9-18/h1-3,8-11,17H,4-7,12-16H2,(H,22,26).
What are the key properties of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide?
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide has a molecular weight of 417.54 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide is sourced from PubChem (CID 9438130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).