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

C11H9NO4S — CID 897017

IUPACmethyl 3-(furan-2-carbonylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1ccco1
InChIInChI=1S/C11H9NO4S/c1-15-11(14)9-7(4-6-17-9)12-10(13)8-3-2-5-16-8/h2-6H,1H3,(H,12,13)
InChIKeyIXWDIISJEVEBJI-UHFFFAOYSA-N
MW251.26 g/mol
LogP2.38
Rot. Bonds3

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

methyl 3-(furan-2-carbonylamino)thiophene-2-carboxylate (PubChem CID 897017) has the molecular formula C11H9NO4S and a molecular weight of 251.26 g/mol. Its IUPAC name is methyl 3-(furan-2-carbonylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(furan-2-carbonylamino)thiophene-2-carboxylate
PubChem CID897017
Molecular FormulaC11H9NO4S
Molecular Weight251.26 g/mol
Exact Mass251.03
IUPAC Namemethyl 3-(furan-2-carbonylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1ccco1
InChIInChI=1S/C11H9NO4S/c1-15-11(14)9-7(4-6-17-9)12-10(13)8-3-2-5-16-8/h2-6H,1H3,(H,12,13)
InChIKeyIXWDIISJEVEBJI-UHFFFAOYSA-N
XLogP2.38
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(furan-2-carbonylamino)thiophene-2-carboxylate?
The IUPAC name of methyl 3-(furan-2-carbonylamino)thiophene-2-carboxylate (CID 897017) is methyl 3-(furan-2-carbonylamino)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(furan-2-carbonylamino)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-(furan-2-carbonylamino)thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)c1ccco1.
What is the InChIKey of methyl 3-(furan-2-carbonylamino)thiophene-2-carboxylate?
The InChIKey is IXWDIISJEVEBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4S/c1-15-11(14)9-7(4-6-17-9)12-10(13)8-3-2-5-16-8/h2-6H,1H3,(H,12,13).
What are the key properties of methyl 3-(furan-2-carbonylamino)thiophene-2-carboxylate?
methyl 3-(furan-2-carbonylamino)thiophene-2-carboxylate has a molecular weight of 251.26 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(furan-2-carbonylamino)thiophene-2-carboxylate is sourced from PubChem (CID 897017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).