[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-ethoxypyridine-3-carboxylate

C15H16N2O4S — CID 2364069

IUPAC[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCC(=O)NCc1cccs1
InChIInChI=1S/C15H16N2O4S/c1-2-20-14-12(6-3-7-16-14)15(19)21-10-13(18)17-9-11-5-4-8-22-11/h3-8H,2,9-10H2,1H3,(H,17,18)
InChIKeyKZLZBLBHLMAPOK-UHFFFAOYSA-N
MW320.37 g/mol
LogP2.02
Rot. Bonds7

About [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-ethoxypyridine-3-carboxylate

[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-ethoxypyridine-3-carboxylate (PubChem CID 2364069) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-ethoxypyridine-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-ethoxypyridine-3-carboxylate
PubChem CID2364069
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCC(=O)NCc1cccs1
InChIInChI=1S/C15H16N2O4S/c1-2-20-14-12(6-3-7-16-14)15(19)21-10-13(18)17-9-11-5-4-8-22-11/h3-8H,2,9-10H2,1H3,(H,17,18)
InChIKeyKZLZBLBHLMAPOK-UHFFFAOYSA-N
XLogP2.02
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-ethoxypyridine-3-carboxylate?
The IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-ethoxypyridine-3-carboxylate (CID 2364069) is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-ethoxypyridine-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-ethoxypyridine-3-carboxylate?
The canonical SMILES for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-ethoxypyridine-3-carboxylate is CCOc1ncccc1C(=O)OCC(=O)NCc1cccs1.
What is the InChIKey of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-ethoxypyridine-3-carboxylate?
The InChIKey is KZLZBLBHLMAPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-2-20-14-12(6-3-7-16-14)15(19)21-10-13(18)17-9-11-5-4-8-22-11/h3-8H,2,9-10H2,1H3,(H,17,18).
What are the key properties of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-ethoxypyridine-3-carboxylate?
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-ethoxypyridine-3-carboxylate has a molecular weight of 320.37 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-ethoxypyridine-3-carboxylate is sourced from PubChem (CID 2364069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).