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

C12H11NO4S — CID 5207253

IUPACethyl 2-(furan-2-carbonylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1NC(=O)c1ccco1
InChIInChI=1S/C12H11NO4S/c1-2-16-12(15)8-5-7-18-11(8)13-10(14)9-4-3-6-17-9/h3-7H,2H2,1H3,(H,13,14)
InChIKeyUGTUWRPHATYSNM-UHFFFAOYSA-N
MW265.29 g/mol
LogP2.77
Rot. Bonds4

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

ethyl 2-(furan-2-carbonylamino)thiophene-3-carboxylate (PubChem CID 5207253) has the molecular formula C12H11NO4S and a molecular weight of 265.29 g/mol. Its IUPAC name is ethyl 2-(furan-2-carbonylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(furan-2-carbonylamino)thiophene-3-carboxylate
PubChem CID5207253
Molecular FormulaC12H11NO4S
Molecular Weight265.29 g/mol
Exact Mass265.04
IUPAC Nameethyl 2-(furan-2-carbonylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1NC(=O)c1ccco1
InChIInChI=1S/C12H11NO4S/c1-2-16-12(15)8-5-7-18-11(8)13-10(14)9-4-3-6-17-9/h3-7H,2H2,1H3,(H,13,14)
InChIKeyUGTUWRPHATYSNM-UHFFFAOYSA-N
XLogP2.77
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(furan-2-carbonylamino)thiophene-3-carboxylate?
The IUPAC name of ethyl 2-(furan-2-carbonylamino)thiophene-3-carboxylate (CID 5207253) is ethyl 2-(furan-2-carbonylamino)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-(furan-2-carbonylamino)thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-(furan-2-carbonylamino)thiophene-3-carboxylate is CCOC(=O)c1ccsc1NC(=O)c1ccco1.
What is the InChIKey of ethyl 2-(furan-2-carbonylamino)thiophene-3-carboxylate?
The InChIKey is UGTUWRPHATYSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4S/c1-2-16-12(15)8-5-7-18-11(8)13-10(14)9-4-3-6-17-9/h3-7H,2H2,1H3,(H,13,14).
What are the key properties of ethyl 2-(furan-2-carbonylamino)thiophene-3-carboxylate?
ethyl 2-(furan-2-carbonylamino)thiophene-3-carboxylate has a molecular weight of 265.29 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(furan-2-carbonylamino)thiophene-3-carboxylate is sourced from PubChem (CID 5207253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).