1-[4-(1-benzofuran-2-carbonyl)thiophen-2-yl]ethanone

C15H10O3S — CID 3747512

IUPAC1-[4-(1-benzofuran-2-carbonyl)thiophen-2-yl]ethanone
SMILESCC(=O)c1cc(C(=O)c2cc3ccccc3o2)cs1
InChIInChI=1S/C15H10O3S/c1-9(16)14-7-11(8-19-14)15(17)13-6-10-4-2-3-5-12(10)18-13/h2-8H,1H3
InChIKeyHWWKHLITLSFIDJ-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.93
Rot. Bonds3

About 1-[4-(1-benzofuran-2-carbonyl)thiophen-2-yl]ethanone

1-[4-(1-benzofuran-2-carbonyl)thiophen-2-yl]ethanone (PubChem CID 3747512) has the molecular formula C15H10O3S and a molecular weight of 270.31 g/mol. Its IUPAC name is 1-[4-(1-benzofuran-2-carbonyl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(1-benzofuran-2-carbonyl)thiophen-2-yl]ethanone
PubChem CID3747512
Molecular FormulaC15H10O3S
Molecular Weight270.31 g/mol
Exact Mass270.04
IUPAC Name1-[4-(1-benzofuran-2-carbonyl)thiophen-2-yl]ethanone
SMILESCC(=O)c1cc(C(=O)c2cc3ccccc3o2)cs1
InChIInChI=1S/C15H10O3S/c1-9(16)14-7-11(8-19-14)15(17)13-6-10-4-2-3-5-12(10)18-13/h2-8H,1H3
InChIKeyHWWKHLITLSFIDJ-UHFFFAOYSA-N
XLogP3.93
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzofuran-2-yl)ethanone
CID 15435
1-benzofuran-2-yl-(5-methylfuran-3-yl)methanone
CID 115807026
1-(1-benzofuran-2-yl)ethanone;molecular hydrogen;toluene;dihydrate
CID 142129811
N-[2-[4-(1-benzofuran-2-carbonyl)phenyl]ethyl]acetamide
CID 17468740
1-benzofuran-2-yl-(4-propan-2-yloxyphenyl)methanone
CID 29075985
1-benzofuran-2-yl(2-benzofuran-1-yl)methanone
CID 141203650
1-benzofuran-2-yl-(3-methylazulen-1-yl)methanone
CID 11055263
N-[(4-acetylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 20677387
1-benzofuran-2-yl-(5-hydroxy-1-benzofuran-2-yl)methanone
CID 58035506
[(E)-1-(1-benzofuran-2-yl)ethylideneamino] acetate
CID 53467236
(2R)-2-[3-(1-benzofuran-2-carbonyl)phenyl]propanamide
CID 11680880
1-benzofuran-2-yl-(4-pyrrolidin-1-ylphenyl)methanone
CID 168514058

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-benzofuran-2-carbonyl)thiophen-2-yl]ethanone?
The IUPAC name of 1-[4-(1-benzofuran-2-carbonyl)thiophen-2-yl]ethanone (CID 3747512) is 1-[4-(1-benzofuran-2-carbonyl)thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[4-(1-benzofuran-2-carbonyl)thiophen-2-yl]ethanone?
The canonical SMILES for 1-[4-(1-benzofuran-2-carbonyl)thiophen-2-yl]ethanone is CC(=O)c1cc(C(=O)c2cc3ccccc3o2)cs1.
What is the InChIKey of 1-[4-(1-benzofuran-2-carbonyl)thiophen-2-yl]ethanone?
The InChIKey is HWWKHLITLSFIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O3S/c1-9(16)14-7-11(8-19-14)15(17)13-6-10-4-2-3-5-12(10)18-13/h2-8H,1H3.
What are the key properties of 1-[4-(1-benzofuran-2-carbonyl)thiophen-2-yl]ethanone?
1-[4-(1-benzofuran-2-carbonyl)thiophen-2-yl]ethanone has a molecular weight of 270.31 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-benzofuran-2-carbonyl)thiophen-2-yl]ethanone is sourced from PubChem (CID 3747512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).