[3-(thiophene-2-carbonyl)-1-benzofuran-5-yl] acetate

C15H10O4S — CID 674266

IUPAC[3-(thiophene-2-carbonyl)-1-benzofuran-5-yl] acetate
SMILESCC(=O)Oc1ccc2occ(C(=O)c3cccs3)c2c1
InChIInChI=1S/C15H10O4S/c1-9(16)19-10-4-5-13-11(7-10)12(8-18-13)15(17)14-3-2-6-20-14/h2-8H,1H3
InChIKeySGKCLSIVSBBHCJ-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.65
Rot. Bonds3

About [3-(thiophene-2-carbonyl)-1-benzofuran-5-yl] acetate

[3-(thiophene-2-carbonyl)-1-benzofuran-5-yl] acetate (PubChem CID 674266) has the molecular formula C15H10O4S and a molecular weight of 286.31 g/mol. Its IUPAC name is [3-(thiophene-2-carbonyl)-1-benzofuran-5-yl] acetate.

Molecular Properties

Compound Name[3-(thiophene-2-carbonyl)-1-benzofuran-5-yl] acetate
PubChem CID674266
Molecular FormulaC15H10O4S
Molecular Weight286.31 g/mol
Exact Mass286.03
IUPAC Name[3-(thiophene-2-carbonyl)-1-benzofuran-5-yl] acetate
SMILESCC(=O)Oc1ccc2occ(C(=O)c3cccs3)c2c1
InChIInChI=1S/C15H10O4S/c1-9(16)19-10-4-5-13-11(7-10)12(8-18-13)15(17)14-3-2-6-20-14/h2-8H,1H3
InChIKeySGKCLSIVSBBHCJ-UHFFFAOYSA-N
XLogP3.65
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [3-(thiophene-2-carbonyl)-1-benzofuran-5-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-Methoxy-benzofuran-3-yl)-thiophen-2-yl-methanone
CID 620971
Chloro-acetic acid 3-(thiophene-2-carbonyl)-benzofuran-5-yl ester
CID 689970
3-(4-Methoxybenzoyl)-1-benzofuran-5-yl acetate
CID 868434
2-Methoxyethyl 2-methyl-5-(thiophene-2-carbonyloxy)-1-benzofuran-3-carboxylate
CID 1893221
Methyl 2-methyl-5-(thiophene-2-carbonyloxy)-1-benzofuran-3-carboxylate
CID 803459
2-Benzenesulfinylmethyl-5-methoxy-benzofuran-3-carboxylic acid
CID 6484084
Propan-2-yl 2-methyl-5-(thiophene-2-carbonyloxy)-1-benzofuran-3-carboxylate
CID 708276
3-(2,5-Dimethoxybenzoyl)-1-benzofuran-5-yl acetate
CID 867287
(5-Hydroxybenzofuran-3-yl)(thiophen-2-yl)methanone
CID 674272
Ethyl 2-methyl-5-(thiophene-2-carbonyloxy)-1-benzofuran-3-carboxylate
CID 719960
5-Hydroxy-2-[(phenylthio)methyl]-3-benzofurancarboxylic acid ethyl ester
CID 1840247
3-Benzoyl-1-benzofuran-5-yl acetate
CID 878744

Frequently Asked Questions

What is the IUPAC name of [3-(thiophene-2-carbonyl)-1-benzofuran-5-yl] acetate?
The IUPAC name of [3-(thiophene-2-carbonyl)-1-benzofuran-5-yl] acetate (CID 674266) is [3-(thiophene-2-carbonyl)-1-benzofuran-5-yl] acetate.
What is the SMILES notation for [3-(thiophene-2-carbonyl)-1-benzofuran-5-yl] acetate?
The canonical SMILES for [3-(thiophene-2-carbonyl)-1-benzofuran-5-yl] acetate is CC(=O)Oc1ccc2occ(C(=O)c3cccs3)c2c1.
What is the InChIKey of [3-(thiophene-2-carbonyl)-1-benzofuran-5-yl] acetate?
The InChIKey is SGKCLSIVSBBHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O4S/c1-9(16)19-10-4-5-13-11(7-10)12(8-18-13)15(17)14-3-2-6-20-14/h2-8H,1H3.
What are the key properties of [3-(thiophene-2-carbonyl)-1-benzofuran-5-yl] acetate?
[3-(thiophene-2-carbonyl)-1-benzofuran-5-yl] acetate has a molecular weight of 286.31 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(thiophene-2-carbonyl)-1-benzofuran-5-yl] acetate is sourced from PubChem (CID 674266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).