(2-oxo-2-thiophen-2-ylethyl) 1-benzofuran-2-carboxylate

C15H10O4S — CID 7194073

IUPAC(2-oxo-2-thiophen-2-ylethyl) 1-benzofuran-2-carboxylate
SMILESO=C(OCC(=O)c1cccs1)c1cc2ccccc2o1
InChIInChI=1S/C15H10O4S/c16-11(14-6-3-7-20-14)9-18-15(17)13-8-10-4-1-2-5-12(10)19-13/h1-8H,9H2
InChIKeyYNRGCTYYRGRFHL-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.53
Rot. Bonds4

About (2-oxo-2-thiophen-2-ylethyl) 1-benzofuran-2-carboxylate

(2-oxo-2-thiophen-2-ylethyl) 1-benzofuran-2-carboxylate (PubChem CID 7194073) has the molecular formula C15H10O4S and a molecular weight of 286.31 g/mol. Its IUPAC name is (2-oxo-2-thiophen-2-ylethyl) 1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name(2-oxo-2-thiophen-2-ylethyl) 1-benzofuran-2-carboxylate
PubChem CID7194073
Molecular FormulaC15H10O4S
Molecular Weight286.31 g/mol
Exact Mass286.03
IUPAC Name(2-oxo-2-thiophen-2-ylethyl) 1-benzofuran-2-carboxylate
SMILESO=C(OCC(=O)c1cccs1)c1cc2ccccc2o1
InChIInChI=1S/C15H10O4S/c16-11(14-6-3-7-20-14)9-18-15(17)13-8-10-4-1-2-5-12(10)19-13/h1-8H,9H2
InChIKeyYNRGCTYYRGRFHL-UHFFFAOYSA-N
XLogP3.53
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(4-propylphenyl)ethyl] 1-benzofuran-2-carboxylate
CID 7210520
N-[4-(thiophene-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide
CID 1016193
[2-(1-benzofuran-2-yl)-2-oxoethyl] 4-phenylbenzoate
CID 23995291
[2-(1-benzofuran-2-yl)-2-oxoethyl] 4-methylbenzoate
CID 7972415
[2-(1-benzofuran-2-yl)-2-oxoethyl] 3,4,5-trihydroxybenzoate
CID 23965063
N-[3-(thiophene-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide
CID 1232080
[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7194080
(2-oxo-2-thiophen-2-ylethyl) 3-(phenoxymethyl)-1-benzofuran-2-carboxylate
CID 7904042
(2-oxo-2-thiophen-2-ylethyl) 5-bromo-2-hydroxybenzoate
CID 7365706
1-(1-benzofuran-2-yl)-2-thiophen-2-ylsulfonylethanone
CID 64644105
(2-oxo-2-thiophen-2-ylethyl) 5-(4-acetylphenyl)furan-2-carboxylate
CID 7728134
[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 16502968

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-thiophen-2-ylethyl) 1-benzofuran-2-carboxylate?
The IUPAC name of (2-oxo-2-thiophen-2-ylethyl) 1-benzofuran-2-carboxylate (CID 7194073) is (2-oxo-2-thiophen-2-ylethyl) 1-benzofuran-2-carboxylate.
What is the SMILES notation for (2-oxo-2-thiophen-2-ylethyl) 1-benzofuran-2-carboxylate?
The canonical SMILES for (2-oxo-2-thiophen-2-ylethyl) 1-benzofuran-2-carboxylate is O=C(OCC(=O)c1cccs1)c1cc2ccccc2o1.
What is the InChIKey of (2-oxo-2-thiophen-2-ylethyl) 1-benzofuran-2-carboxylate?
The InChIKey is YNRGCTYYRGRFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O4S/c16-11(14-6-3-7-20-14)9-18-15(17)13-8-10-4-1-2-5-12(10)19-13/h1-8H,9H2.
What are the key properties of (2-oxo-2-thiophen-2-ylethyl) 1-benzofuran-2-carboxylate?
(2-oxo-2-thiophen-2-ylethyl) 1-benzofuran-2-carboxylate has a molecular weight of 286.31 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-thiophen-2-ylethyl) 1-benzofuran-2-carboxylate is sourced from PubChem (CID 7194073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).