1-(7-chloro-1-benzofuran-2-yl)-2-cyclopentylsulfanylethanone

C15H15ClO2S — CID 114725382

IUPAC1-(7-chloro-1-benzofuran-2-yl)-2-cyclopentylsulfanylethanone
SMILESO=C(CSC1CCCC1)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C15H15ClO2S/c16-12-7-3-4-10-8-14(18-15(10)12)13(17)9-19-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9H2
InChIKeySJTVOFCCIXWPJW-UHFFFAOYSA-N
MW294.80 g/mol
LogP4.94
Rot. Bonds4

About 1-(7-chloro-1-benzofuran-2-yl)-2-cyclopentylsulfanylethanone

1-(7-chloro-1-benzofuran-2-yl)-2-cyclopentylsulfanylethanone (PubChem CID 114725382) has the molecular formula C15H15ClO2S and a molecular weight of 294.80 g/mol. Its IUPAC name is 1-(7-chloro-1-benzofuran-2-yl)-2-cyclopentylsulfanylethanone.

Molecular Properties

Compound Name1-(7-chloro-1-benzofuran-2-yl)-2-cyclopentylsulfanylethanone
PubChem CID114725382
Molecular FormulaC15H15ClO2S
Molecular Weight294.80 g/mol
Exact Mass294.05
IUPAC Name1-(7-chloro-1-benzofuran-2-yl)-2-cyclopentylsulfanylethanone
SMILESO=C(CSC1CCCC1)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C15H15ClO2S/c16-12-7-3-4-10-8-14(18-15(10)12)13(17)9-19-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9H2
InChIKeySJTVOFCCIXWPJW-UHFFFAOYSA-N
XLogP4.94
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.80
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(7-chloro-1-benzofuran-2-yl)-2-cyclopentylsulfanylethanone with MolForge

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Related Compounds

2-(azetidin-3-yl)-1-(7-chloro-1-benzofuran-2-yl)ethanone
CID 114736812
2-cyclopentylsulfanyl-1-(2,3-dichlorophenyl)ethanone
CID 65138850
2-[1-(aminomethyl)cyclobutyl]-1-(7-chloro-1-benzofuran-2-yl)ethanone
CID 114737144
1-(7-chloro-1-benzofuran-2-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanone
CID 114725938
4-amino-1-(7-chloro-1-benzofuran-2-yl)butan-1-one
CID 114736248
1-(7-chloro-1-benzofuran-2-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one
CID 114725597
2-[1-(aminomethyl)cyclohexyl]-1-(7-chloro-1-benzofuran-2-yl)ethanone
CID 114737415
(7-chloro-1-benzofuran-2-yl)-(2,3-dihydro-1H-inden-2-yl)methanone
CID 114725485
1-(7-chloro-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-one
CID 105133323
2-cyclohexyl-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 115808413
1-(7-chloro-1-benzofuran-2-yl)-3-methoxybutan-1-one
CID 114726061
2-cycloheptyl-1-(7-fluoro-1-benzofuran-2-yl)ethanone
CID 115809805

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-2-cyclopentylsulfanylethanone?
The IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-2-cyclopentylsulfanylethanone (CID 114725382) is 1-(7-chloro-1-benzofuran-2-yl)-2-cyclopentylsulfanylethanone.
What is the SMILES notation for 1-(7-chloro-1-benzofuran-2-yl)-2-cyclopentylsulfanylethanone?
The canonical SMILES for 1-(7-chloro-1-benzofuran-2-yl)-2-cyclopentylsulfanylethanone is O=C(CSC1CCCC1)c1cc2cccc(Cl)c2o1.
What is the InChIKey of 1-(7-chloro-1-benzofuran-2-yl)-2-cyclopentylsulfanylethanone?
The InChIKey is SJTVOFCCIXWPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO2S/c16-12-7-3-4-10-8-14(18-15(10)12)13(17)9-19-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9H2.
What are the key properties of 1-(7-chloro-1-benzofuran-2-yl)-2-cyclopentylsulfanylethanone?
1-(7-chloro-1-benzofuran-2-yl)-2-cyclopentylsulfanylethanone has a molecular weight of 294.80 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-1-benzofuran-2-yl)-2-cyclopentylsulfanylethanone is sourced from PubChem (CID 114725382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).