(2-oxo-2-thiophen-2-ylethyl) 2-ethoxypyridine-3-carboxylate

C14H13NO4S — CID 2336418

IUPAC(2-oxo-2-thiophen-2-ylethyl) 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCC(=O)c1cccs1
InChIInChI=1S/C14H13NO4S/c1-2-18-13-10(5-3-7-15-13)14(17)19-9-11(16)12-6-4-8-20-12/h3-8H,2,9H2,1H3
InChIKeyZVDDIQVRGUWNCT-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.58
Rot. Bonds6

About (2-oxo-2-thiophen-2-ylethyl) 2-ethoxypyridine-3-carboxylate

(2-oxo-2-thiophen-2-ylethyl) 2-ethoxypyridine-3-carboxylate (PubChem CID 2336418) has the molecular formula C14H13NO4S and a molecular weight of 291.33 g/mol. Its IUPAC name is (2-oxo-2-thiophen-2-ylethyl) 2-ethoxypyridine-3-carboxylate.

Molecular Properties

Compound Name(2-oxo-2-thiophen-2-ylethyl) 2-ethoxypyridine-3-carboxylate
PubChem CID2336418
Molecular FormulaC14H13NO4S
Molecular Weight291.33 g/mol
Exact Mass291.06
IUPAC Name(2-oxo-2-thiophen-2-ylethyl) 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCC(=O)c1cccs1
InChIInChI=1S/C14H13NO4S/c1-2-18-13-10(5-3-7-15-13)14(17)19-9-11(16)12-6-4-8-20-12/h3-8H,2,9H2,1H3
InChIKeyZVDDIQVRGUWNCT-UHFFFAOYSA-N
XLogP2.58
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2-oxo-2-thiophen-2-ylethyl) 2-ethoxypyridine-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 (2-oxo-2-thiophen-2-ylethyl) 2-ethoxypyridine-3-carboxylate?
The IUPAC name of (2-oxo-2-thiophen-2-ylethyl) 2-ethoxypyridine-3-carboxylate (CID 2336418) is (2-oxo-2-thiophen-2-ylethyl) 2-ethoxypyridine-3-carboxylate.
What is the SMILES notation for (2-oxo-2-thiophen-2-ylethyl) 2-ethoxypyridine-3-carboxylate?
The canonical SMILES for (2-oxo-2-thiophen-2-ylethyl) 2-ethoxypyridine-3-carboxylate is CCOc1ncccc1C(=O)OCC(=O)c1cccs1.
What is the InChIKey of (2-oxo-2-thiophen-2-ylethyl) 2-ethoxypyridine-3-carboxylate?
The InChIKey is ZVDDIQVRGUWNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4S/c1-2-18-13-10(5-3-7-15-13)14(17)19-9-11(16)12-6-4-8-20-12/h3-8H,2,9H2,1H3.
What are the key properties of (2-oxo-2-thiophen-2-ylethyl) 2-ethoxypyridine-3-carboxylate?
(2-oxo-2-thiophen-2-ylethyl) 2-ethoxypyridine-3-carboxylate has a molecular weight of 291.33 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-thiophen-2-ylethyl) 2-ethoxypyridine-3-carboxylate is sourced from PubChem (CID 2336418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).