methyl 2-[(2-methylfuran-3-carbonyl)amino]-4-pyridin-4-ylthiophene-3-carboxylate

C17H14N2O4S — CID 1247236

IUPACmethyl 2-[(2-methylfuran-3-carbonyl)amino]-4-pyridin-4-ylthiophene-3-carboxylate
SMILESCOC(=O)c1c(-c2ccncc2)csc1NC(=O)c1ccoc1C
InChIInChI=1S/C17H14N2O4S/c1-10-12(5-8-23-10)15(20)19-16-14(17(21)22-2)13(9-24-16)11-3-6-18-7-4-11/h3-9H,1-2H3,(H,19,20)
InChIKeyPOTGPTIVWUHURY-UHFFFAOYSA-N
MW342.38 g/mol
LogP3.75
Rot. Bonds4

About methyl 2-[(2-methylfuran-3-carbonyl)amino]-4-pyridin-4-ylthiophene-3-carboxylate

methyl 2-[(2-methylfuran-3-carbonyl)amino]-4-pyridin-4-ylthiophene-3-carboxylate (PubChem CID 1247236) has the molecular formula C17H14N2O4S and a molecular weight of 342.38 g/mol. Its IUPAC name is methyl 2-[(2-methylfuran-3-carbonyl)amino]-4-pyridin-4-ylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2-methylfuran-3-carbonyl)amino]-4-pyridin-4-ylthiophene-3-carboxylate
PubChem CID1247236
Molecular FormulaC17H14N2O4S
Molecular Weight342.38 g/mol
Exact Mass342.07
IUPAC Namemethyl 2-[(2-methylfuran-3-carbonyl)amino]-4-pyridin-4-ylthiophene-3-carboxylate
SMILESCOC(=O)c1c(-c2ccncc2)csc1NC(=O)c1ccoc1C
InChIInChI=1S/C17H14N2O4S/c1-10-12(5-8-23-10)15(20)19-16-14(17(21)22-2)13(9-24-16)11-3-6-18-7-4-11/h3-9H,1-2H3,(H,19,20)
InChIKeyPOTGPTIVWUHURY-UHFFFAOYSA-N
XLogP3.75
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(2-methylfuran-3-carbonyl)amino]-4-pyridin-4-ylthiophene-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methylfuran-3-carbonyl)amino]-4-pyridin-4-ylthiophene-3-carboxylate?
The IUPAC name of methyl 2-[(2-methylfuran-3-carbonyl)amino]-4-pyridin-4-ylthiophene-3-carboxylate (CID 1247236) is methyl 2-[(2-methylfuran-3-carbonyl)amino]-4-pyridin-4-ylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[(2-methylfuran-3-carbonyl)amino]-4-pyridin-4-ylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-[(2-methylfuran-3-carbonyl)amino]-4-pyridin-4-ylthiophene-3-carboxylate is COC(=O)c1c(-c2ccncc2)csc1NC(=O)c1ccoc1C.
What is the InChIKey of methyl 2-[(2-methylfuran-3-carbonyl)amino]-4-pyridin-4-ylthiophene-3-carboxylate?
The InChIKey is POTGPTIVWUHURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4S/c1-10-12(5-8-23-10)15(20)19-16-14(17(21)22-2)13(9-24-16)11-3-6-18-7-4-11/h3-9H,1-2H3,(H,19,20).
What are the key properties of methyl 2-[(2-methylfuran-3-carbonyl)amino]-4-pyridin-4-ylthiophene-3-carboxylate?
methyl 2-[(2-methylfuran-3-carbonyl)amino]-4-pyridin-4-ylthiophene-3-carboxylate has a molecular weight of 342.38 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methylfuran-3-carbonyl)amino]-4-pyridin-4-ylthiophene-3-carboxylate is sourced from PubChem (CID 1247236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).