diethyl 4-(furan-2-carbonyl)thiophene-2,3-dicarboxylate

C15H14O6S — CID 54753919

IUPACdiethyl 4-(furan-2-carbonyl)thiophene-2,3-dicarboxylate
SMILESCCOC(=O)c1scc(C(=O)c2ccco2)c1C(=O)OCC
InChIInChI=1S/C15H14O6S/c1-3-19-14(17)11-9(12(16)10-6-5-7-21-10)8-22-13(11)15(18)20-4-2/h5-8H,3-4H2,1-2H3
InChIKeyOSSQMGMWUHKJMC-UHFFFAOYSA-N
MW322.34 g/mol
LogP2.93
Rot. Bonds6

About diethyl 4-(furan-2-carbonyl)thiophene-2,3-dicarboxylate

diethyl 4-(furan-2-carbonyl)thiophene-2,3-dicarboxylate (PubChem CID 54753919) has the molecular formula C15H14O6S and a molecular weight of 322.34 g/mol. Its IUPAC name is diethyl 4-(furan-2-carbonyl)thiophene-2,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-(furan-2-carbonyl)thiophene-2,3-dicarboxylate
PubChem CID54753919
Molecular FormulaC15H14O6S
Molecular Weight322.34 g/mol
Exact Mass322.05
IUPAC Namediethyl 4-(furan-2-carbonyl)thiophene-2,3-dicarboxylate
SMILESCCOC(=O)c1scc(C(=O)c2ccco2)c1C(=O)OCC
InChIInChI=1S/C15H14O6S/c1-3-19-14(17)11-9(12(16)10-6-5-7-21-10)8-22-13(11)15(18)20-4-2/h5-8H,3-4H2,1-2H3
InChIKeyOSSQMGMWUHKJMC-UHFFFAOYSA-N
XLogP2.93
TPSA82.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of diethyl 4-(furan-2-carbonyl)thiophene-2,3-dicarboxylate?
The IUPAC name of diethyl 4-(furan-2-carbonyl)thiophene-2,3-dicarboxylate (CID 54753919) is diethyl 4-(furan-2-carbonyl)thiophene-2,3-dicarboxylate.
What is the SMILES notation for diethyl 4-(furan-2-carbonyl)thiophene-2,3-dicarboxylate?
The canonical SMILES for diethyl 4-(furan-2-carbonyl)thiophene-2,3-dicarboxylate is CCOC(=O)c1scc(C(=O)c2ccco2)c1C(=O)OCC.
What is the InChIKey of diethyl 4-(furan-2-carbonyl)thiophene-2,3-dicarboxylate?
The InChIKey is OSSQMGMWUHKJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O6S/c1-3-19-14(17)11-9(12(16)10-6-5-7-21-10)8-22-13(11)15(18)20-4-2/h5-8H,3-4H2,1-2H3.
What are the key properties of diethyl 4-(furan-2-carbonyl)thiophene-2,3-dicarboxylate?
diethyl 4-(furan-2-carbonyl)thiophene-2,3-dicarboxylate has a molecular weight of 322.34 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-(furan-2-carbonyl)thiophene-2,3-dicarboxylate is sourced from PubChem (CID 54753919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).