methyl 4-(furan-2-carbonylamino)-5-methylsulfanylthiophene-2-carboxylate

C12H11NO4S2 — CID 18536801

IUPACmethyl 4-(furan-2-carbonylamino)-5-methylsulfanylthiophene-2-carboxylate
SMILESCOC(=O)c1cc(NC(=O)c2ccco2)c(SC)s1
InChIInChI=1S/C12H11NO4S2/c1-16-11(15)9-6-7(12(18-2)19-9)13-10(14)8-4-3-5-17-8/h3-6H,1-2H3,(H,13,14)
InChIKeyUWTGLUNWXPXNIL-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.10
Rot. Bonds4

About methyl 4-(furan-2-carbonylamino)-5-methylsulfanylthiophene-2-carboxylate

methyl 4-(furan-2-carbonylamino)-5-methylsulfanylthiophene-2-carboxylate (PubChem CID 18536801) has the molecular formula C12H11NO4S2 and a molecular weight of 297.36 g/mol. Its IUPAC name is methyl 4-(furan-2-carbonylamino)-5-methylsulfanylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(furan-2-carbonylamino)-5-methylsulfanylthiophene-2-carboxylate
PubChem CID18536801
Molecular FormulaC12H11NO4S2
Molecular Weight297.36 g/mol
Exact Mass297.01
IUPAC Namemethyl 4-(furan-2-carbonylamino)-5-methylsulfanylthiophene-2-carboxylate
SMILESCOC(=O)c1cc(NC(=O)c2ccco2)c(SC)s1
InChIInChI=1S/C12H11NO4S2/c1-16-11(15)9-6-7(12(18-2)19-9)13-10(14)8-4-3-5-17-8/h3-6H,1-2H3,(H,13,14)
InChIKeyUWTGLUNWXPXNIL-UHFFFAOYSA-N
XLogP3.10
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(furan-2-carbonylamino)-5-methylsulfanylthiophene-2-carboxylate?
The IUPAC name of methyl 4-(furan-2-carbonylamino)-5-methylsulfanylthiophene-2-carboxylate (CID 18536801) is methyl 4-(furan-2-carbonylamino)-5-methylsulfanylthiophene-2-carboxylate.
What is the SMILES notation for methyl 4-(furan-2-carbonylamino)-5-methylsulfanylthiophene-2-carboxylate?
The canonical SMILES for methyl 4-(furan-2-carbonylamino)-5-methylsulfanylthiophene-2-carboxylate is COC(=O)c1cc(NC(=O)c2ccco2)c(SC)s1.
What is the InChIKey of methyl 4-(furan-2-carbonylamino)-5-methylsulfanylthiophene-2-carboxylate?
The InChIKey is UWTGLUNWXPXNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4S2/c1-16-11(15)9-6-7(12(18-2)19-9)13-10(14)8-4-3-5-17-8/h3-6H,1-2H3,(H,13,14).
What are the key properties of methyl 4-(furan-2-carbonylamino)-5-methylsulfanylthiophene-2-carboxylate?
methyl 4-(furan-2-carbonylamino)-5-methylsulfanylthiophene-2-carboxylate has a molecular weight of 297.36 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(furan-2-carbonylamino)-5-methylsulfanylthiophene-2-carboxylate is sourced from PubChem (CID 18536801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).