methyl 2-(furan-2-carbonylamino)-5-methylthiophene-3-carboxylate

C12H11NO4S — CID 1246438

IUPACmethyl 2-(furan-2-carbonylamino)-5-methylthiophene-3-carboxylate
SMILESCOC(=O)c1cc(C)sc1NC(=O)c1ccco1
InChIInChI=1S/C12H11NO4S/c1-7-6-8(12(15)16-2)11(18-7)13-10(14)9-4-3-5-17-9/h3-6H,1-2H3,(H,13,14)
InChIKeyKLMPESFPQQDIQC-UHFFFAOYSA-N
MW265.29 g/mol
LogP2.69
Rot. Bonds3

About methyl 2-(furan-2-carbonylamino)-5-methylthiophene-3-carboxylate

methyl 2-(furan-2-carbonylamino)-5-methylthiophene-3-carboxylate (PubChem CID 1246438) has the molecular formula C12H11NO4S and a molecular weight of 265.29 g/mol. Its IUPAC name is methyl 2-(furan-2-carbonylamino)-5-methylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(furan-2-carbonylamino)-5-methylthiophene-3-carboxylate
PubChem CID1246438
Molecular FormulaC12H11NO4S
Molecular Weight265.29 g/mol
Exact Mass265.04
IUPAC Namemethyl 2-(furan-2-carbonylamino)-5-methylthiophene-3-carboxylate
SMILESCOC(=O)c1cc(C)sc1NC(=O)c1ccco1
InChIInChI=1S/C12H11NO4S/c1-7-6-8(12(15)16-2)11(18-7)13-10(14)9-4-3-5-17-9/h3-6H,1-2H3,(H,13,14)
InChIKeyKLMPESFPQQDIQC-UHFFFAOYSA-N
XLogP2.69
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(furan-2-carbonylamino)-5-methylthiophene-3-carboxylate?
The IUPAC name of methyl 2-(furan-2-carbonylamino)-5-methylthiophene-3-carboxylate (CID 1246438) is methyl 2-(furan-2-carbonylamino)-5-methylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-(furan-2-carbonylamino)-5-methylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-(furan-2-carbonylamino)-5-methylthiophene-3-carboxylate is COC(=O)c1cc(C)sc1NC(=O)c1ccco1.
What is the InChIKey of methyl 2-(furan-2-carbonylamino)-5-methylthiophene-3-carboxylate?
The InChIKey is KLMPESFPQQDIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4S/c1-7-6-8(12(15)16-2)11(18-7)13-10(14)9-4-3-5-17-9/h3-6H,1-2H3,(H,13,14).
What are the key properties of methyl 2-(furan-2-carbonylamino)-5-methylthiophene-3-carboxylate?
methyl 2-(furan-2-carbonylamino)-5-methylthiophene-3-carboxylate has a molecular weight of 265.29 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(furan-2-carbonylamino)-5-methylthiophene-3-carboxylate is sourced from PubChem (CID 1246438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).