ethyl 5-ethyl-2-(furan-2-carbonylamino)thiophene-3-carboxylate

C14H15NO4S — CID 776594

IUPACethyl 5-ethyl-2-(furan-2-carbonylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)c1ccco1
InChIInChI=1S/C14H15NO4S/c1-3-9-8-10(14(17)18-4-2)13(20-9)15-12(16)11-6-5-7-19-11/h5-8H,3-4H2,1-2H3,(H,15,16)
InChIKeyIALOIXNSZICXAH-UHFFFAOYSA-N
MW293.34 g/mol
LogP3.33
Rot. Bonds5

About ethyl 5-ethyl-2-(furan-2-carbonylamino)thiophene-3-carboxylate

ethyl 5-ethyl-2-(furan-2-carbonylamino)thiophene-3-carboxylate (PubChem CID 776594) has the molecular formula C14H15NO4S and a molecular weight of 293.34 g/mol. Its IUPAC name is ethyl 5-ethyl-2-(furan-2-carbonylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-2-(furan-2-carbonylamino)thiophene-3-carboxylate
PubChem CID776594
Molecular FormulaC14H15NO4S
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC Nameethyl 5-ethyl-2-(furan-2-carbonylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)c1ccco1
InChIInChI=1S/C14H15NO4S/c1-3-9-8-10(14(17)18-4-2)13(20-9)15-12(16)11-6-5-7-19-11/h5-8H,3-4H2,1-2H3,(H,15,16)
InChIKeyIALOIXNSZICXAH-UHFFFAOYSA-N
XLogP3.33
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-2-(furan-2-carbonylamino)thiophene-3-carboxylate?
The IUPAC name of ethyl 5-ethyl-2-(furan-2-carbonylamino)thiophene-3-carboxylate (CID 776594) is ethyl 5-ethyl-2-(furan-2-carbonylamino)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-2-(furan-2-carbonylamino)thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-ethyl-2-(furan-2-carbonylamino)thiophene-3-carboxylate is CCOC(=O)c1cc(CC)sc1NC(=O)c1ccco1.
What is the InChIKey of ethyl 5-ethyl-2-(furan-2-carbonylamino)thiophene-3-carboxylate?
The InChIKey is IALOIXNSZICXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S/c1-3-9-8-10(14(17)18-4-2)13(20-9)15-12(16)11-6-5-7-19-11/h5-8H,3-4H2,1-2H3,(H,15,16).
What are the key properties of ethyl 5-ethyl-2-(furan-2-carbonylamino)thiophene-3-carboxylate?
ethyl 5-ethyl-2-(furan-2-carbonylamino)thiophene-3-carboxylate has a molecular weight of 293.34 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-2-(furan-2-carbonylamino)thiophene-3-carboxylate is sourced from PubChem (CID 776594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).