2-(3-cyclopentylsulfonylanilino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone

C24H31N3O4S — CID 55626440

IUPAC2-(3-cyclopentylsulfonylanilino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(N2CCN(C(=O)CNc3cccc(S(=O)(=O)C4CCCC4)c3)CC2)cc1
InChIInChI=1S/C24H31N3O4S/c1-31-21-11-9-20(10-12-21)26-13-15-27(16-14-26)24(28)18-25-19-5-4-8-23(17-19)32(29,30)22-6-2-3-7-22/h4-5,8-12,17,22,25H,2-3,6-7,13-16,18H2,1H3
InChIKeyUSXPWWWMSOPIAN-UHFFFAOYSA-N
MW457.60 g/mol
LogP3.17
Rot. Bonds7

About 2-(3-cyclopentylsulfonylanilino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone

2-(3-cyclopentylsulfonylanilino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone (PubChem CID 55626440) has the molecular formula C24H31N3O4S and a molecular weight of 457.60 g/mol. Its IUPAC name is 2-(3-cyclopentylsulfonylanilino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-cyclopentylsulfonylanilino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
PubChem CID55626440
Molecular FormulaC24H31N3O4S
Molecular Weight457.60 g/mol
Exact Mass457.20
IUPAC Name2-(3-cyclopentylsulfonylanilino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(N2CCN(C(=O)CNc3cccc(S(=O)(=O)C4CCCC4)c3)CC2)cc1
InChIInChI=1S/C24H31N3O4S/c1-31-21-11-9-20(10-12-21)26-13-15-27(16-14-26)24(28)18-25-19-5-4-8-23(17-19)32(29,30)22-6-2-3-7-22/h4-5,8-12,17,22,25H,2-3,6-7,13-16,18H2,1H3
InChIKeyUSXPWWWMSOPIAN-UHFFFAOYSA-N
XLogP3.17
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.60
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

dimethyl 5-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]benzene-1,3-dicarboxylate
CID 55437017
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 24702790
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-(trifluoromethyl)anilino]ethanone
CID 51183110
1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 90591701
ethyl 4-[2-(3-methoxyanilino)acetyl]piperazine-1-carboxylate
CID 109003882
3-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9158911
1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-naphthalen-1-ylethanone
CID 90591931
N-[(1S)-1-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide
CID 92648063
2-(4-cyclopentylsulfonylanilino)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone
CID 55898501
4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 90589407
3-chloro-N-[3-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 121140727
2-(3,5-difluoro-4-methoxyanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 56502976

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentylsulfonylanilino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(3-cyclopentylsulfonylanilino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone (CID 55626440) is 2-(3-cyclopentylsulfonylanilino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3-cyclopentylsulfonylanilino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3-cyclopentylsulfonylanilino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone is COc1ccc(N2CCN(C(=O)CNc3cccc(S(=O)(=O)C4CCCC4)c3)CC2)cc1.
What is the InChIKey of 2-(3-cyclopentylsulfonylanilino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is USXPWWWMSOPIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4S/c1-31-21-11-9-20(10-12-21)26-13-15-27(16-14-26)24(28)18-25-19-5-4-8-23(17-19)32(29,30)22-6-2-3-7-22/h4-5,8-12,17,22,25H,2-3,6-7,13-16,18H2,1H3.
What are the key properties of 2-(3-cyclopentylsulfonylanilino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone?
2-(3-cyclopentylsulfonylanilino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 457.60 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentylsulfonylanilino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 55626440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).