methyl 3-(furan-2-carbonylamino)-5-thiophen-2-ylthiophene-2-carboxylate

C15H11NO4S2 — CID 2809101

IUPACmethyl 3-(furan-2-carbonylamino)-5-thiophen-2-ylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(-c2cccs2)cc1NC(=O)c1ccco1
InChIInChI=1S/C15H11NO4S2/c1-19-15(18)13-9(16-14(17)10-4-2-6-20-10)8-12(22-13)11-5-3-7-21-11/h2-8H,1H3,(H,16,17)
InChIKeyPMFQDTADDHRUMH-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.11
Rot. Bonds4

About methyl 3-(furan-2-carbonylamino)-5-thiophen-2-ylthiophene-2-carboxylate

methyl 3-(furan-2-carbonylamino)-5-thiophen-2-ylthiophene-2-carboxylate (PubChem CID 2809101) has the molecular formula C15H11NO4S2 and a molecular weight of 333.39 g/mol. Its IUPAC name is methyl 3-(furan-2-carbonylamino)-5-thiophen-2-ylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(furan-2-carbonylamino)-5-thiophen-2-ylthiophene-2-carboxylate
PubChem CID2809101
Molecular FormulaC15H11NO4S2
Molecular Weight333.39 g/mol
Exact Mass333.01
IUPAC Namemethyl 3-(furan-2-carbonylamino)-5-thiophen-2-ylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(-c2cccs2)cc1NC(=O)c1ccco1
InChIInChI=1S/C15H11NO4S2/c1-19-15(18)13-9(16-14(17)10-4-2-6-20-10)8-12(22-13)11-5-3-7-21-11/h2-8H,1H3,(H,16,17)
InChIKeyPMFQDTADDHRUMH-UHFFFAOYSA-N
XLogP4.11
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(furan-2-carbonylamino)-5-thiophen-2-ylthiophene-2-carboxylate?
The IUPAC name of methyl 3-(furan-2-carbonylamino)-5-thiophen-2-ylthiophene-2-carboxylate (CID 2809101) is methyl 3-(furan-2-carbonylamino)-5-thiophen-2-ylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(furan-2-carbonylamino)-5-thiophen-2-ylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-(furan-2-carbonylamino)-5-thiophen-2-ylthiophene-2-carboxylate is COC(=O)c1sc(-c2cccs2)cc1NC(=O)c1ccco1.
What is the InChIKey of methyl 3-(furan-2-carbonylamino)-5-thiophen-2-ylthiophene-2-carboxylate?
The InChIKey is PMFQDTADDHRUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4S2/c1-19-15(18)13-9(16-14(17)10-4-2-6-20-10)8-12(22-13)11-5-3-7-21-11/h2-8H,1H3,(H,16,17).
What are the key properties of methyl 3-(furan-2-carbonylamino)-5-thiophen-2-ylthiophene-2-carboxylate?
methyl 3-(furan-2-carbonylamino)-5-thiophen-2-ylthiophene-2-carboxylate has a molecular weight of 333.39 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(furan-2-carbonylamino)-5-thiophen-2-ylthiophene-2-carboxylate is sourced from PubChem (CID 2809101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).