2-(4-cyclopentylsulfonylanilino)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone

C21H29N3O4S — CID 55898501

IUPAC2-(4-cyclopentylsulfonylanilino)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone
SMILESO=C(CNc1ccc(S(=O)(=O)C2CCCC2)cc1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C21H29N3O4S/c25-20(23-11-13-24(14-12-23)21(26)16-5-6-16)15-22-17-7-9-19(10-8-17)29(27,28)18-3-1-2-4-18/h7-10,16,18,22H,1-6,11-15H2
InChIKeyNGRGVLXMSYBEIR-UHFFFAOYSA-N
MW419.55 g/mol
LogP1.90
Rot. Bonds6

About 2-(4-cyclopentylsulfonylanilino)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone

2-(4-cyclopentylsulfonylanilino)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone (PubChem CID 55898501) has the molecular formula C21H29N3O4S and a molecular weight of 419.55 g/mol. Its IUPAC name is 2-(4-cyclopentylsulfonylanilino)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-cyclopentylsulfonylanilino)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone
PubChem CID55898501
Molecular FormulaC21H29N3O4S
Molecular Weight419.55 g/mol
Exact Mass419.19
IUPAC Name2-(4-cyclopentylsulfonylanilino)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone
SMILESO=C(CNc1ccc(S(=O)(=O)C2CCCC2)cc1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C21H29N3O4S/c25-20(23-11-13-24(14-12-23)21(26)16-5-6-16)15-22-17-7-9-19(10-8-17)29(27,28)18-3-1-2-4-18/h7-10,16,18,22H,1-6,11-15H2
InChIKeyNGRGVLXMSYBEIR-UHFFFAOYSA-N
XLogP1.90
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(3,5-dichloroanilino)ethanone
CID 55900630
[4-(benzenesulfonyl)piperidin-1-yl]-cyclopentylmethanone
CID 90589335
[4-(benzenesulfonyl)piperidin-1-yl]-cyclohexylmethanone
CID 90589378
2-(3-cyclopentylsulfonylanilino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 55626440
N-(4-cyclopentylsulfonylphenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 55610639
N-(4-cyclopentylsulfonylphenyl)butanamide
CID 110778666
N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 110801022
1-chloro-3-(4-cyclopropylsulfonylanilino)propan-2-ol
CID 168640286
2-(4-methylsulfonylanilino)-1-morpholin-4-ylethanone
CID 28579517
1-(azepan-1-yl)-2-[4-(piperidine-1-carbonyl)anilino]ethanone
CID 54841440
N-[3-[[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]amino]-4-methoxyphenyl]acetamide
CID 55893747
2-(4-ethylanilino)-1-piperidin-1-ylethanone
CID 28583235

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentylsulfonylanilino)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-cyclopentylsulfonylanilino)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone (CID 55898501) is 2-(4-cyclopentylsulfonylanilino)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-cyclopentylsulfonylanilino)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-cyclopentylsulfonylanilino)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone is O=C(CNc1ccc(S(=O)(=O)C2CCCC2)cc1)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 2-(4-cyclopentylsulfonylanilino)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone?
The InChIKey is NGRGVLXMSYBEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4S/c25-20(23-11-13-24(14-12-23)21(26)16-5-6-16)15-22-17-7-9-19(10-8-17)29(27,28)18-3-1-2-4-18/h7-10,16,18,22H,1-6,11-15H2.
What are the key properties of 2-(4-cyclopentylsulfonylanilino)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone?
2-(4-cyclopentylsulfonylanilino)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone has a molecular weight of 419.55 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentylsulfonylanilino)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 55898501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).