[2-oxo-1-pyridin-2-yl-2-(thiophen-2-ylmethylamino)ethyl] thiophene-2-carboxylate

C17H14N2O3S2 — CID 648315

IUPAC[2-oxo-1-pyridin-2-yl-2-(thiophen-2-ylmethylamino)ethyl] thiophene-2-carboxylate
SMILESO=C(OC(C(=O)NCc1cccs1)c1ccccn1)c1cccs1
InChIInChI=1S/C17H14N2O3S2/c20-16(19-11-12-5-3-9-23-12)15(13-6-1-2-8-18-13)22-17(21)14-7-4-10-24-14/h1-10,15H,11H2,(H,19,20)
InChIKeyNXUIFHSRMPTITA-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.42
Rot. Bonds6

About [2-oxo-1-pyridin-2-yl-2-(thiophen-2-ylmethylamino)ethyl] thiophene-2-carboxylate

[2-oxo-1-pyridin-2-yl-2-(thiophen-2-ylmethylamino)ethyl] thiophene-2-carboxylate (PubChem CID 648315) has the molecular formula C17H14N2O3S2 and a molecular weight of 358.44 g/mol. Its IUPAC name is [2-oxo-1-pyridin-2-yl-2-(thiophen-2-ylmethylamino)ethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-1-pyridin-2-yl-2-(thiophen-2-ylmethylamino)ethyl] thiophene-2-carboxylate
PubChem CID648315
Molecular FormulaC17H14N2O3S2
Molecular Weight358.44 g/mol
Exact Mass358.04
IUPAC Name[2-oxo-1-pyridin-2-yl-2-(thiophen-2-ylmethylamino)ethyl] thiophene-2-carboxylate
SMILESO=C(OC(C(=O)NCc1cccs1)c1ccccn1)c1cccs1
InChIInChI=1S/C17H14N2O3S2/c20-16(19-11-12-5-3-9-23-12)15(13-6-1-2-8-18-13)22-17(21)14-7-4-10-24-14/h1-10,15H,11H2,(H,19,20)
InChIKeyNXUIFHSRMPTITA-UHFFFAOYSA-N
XLogP3.42
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-oxo-1-pyridin-2-yl-2-(thiophen-2-ylmethylamino)ethyl] thiophene-2-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-1-pyridin-2-yl-2-(thiophen-2-ylmethylamino)ethyl] thiophene-2-carboxylate?
The IUPAC name of [2-oxo-1-pyridin-2-yl-2-(thiophen-2-ylmethylamino)ethyl] thiophene-2-carboxylate (CID 648315) is [2-oxo-1-pyridin-2-yl-2-(thiophen-2-ylmethylamino)ethyl] thiophene-2-carboxylate.
What is the SMILES notation for [2-oxo-1-pyridin-2-yl-2-(thiophen-2-ylmethylamino)ethyl] thiophene-2-carboxylate?
The canonical SMILES for [2-oxo-1-pyridin-2-yl-2-(thiophen-2-ylmethylamino)ethyl] thiophene-2-carboxylate is O=C(OC(C(=O)NCc1cccs1)c1ccccn1)c1cccs1.
What is the InChIKey of [2-oxo-1-pyridin-2-yl-2-(thiophen-2-ylmethylamino)ethyl] thiophene-2-carboxylate?
The InChIKey is NXUIFHSRMPTITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3S2/c20-16(19-11-12-5-3-9-23-12)15(13-6-1-2-8-18-13)22-17(21)14-7-4-10-24-14/h1-10,15H,11H2,(H,19,20).
What are the key properties of [2-oxo-1-pyridin-2-yl-2-(thiophen-2-ylmethylamino)ethyl] thiophene-2-carboxylate?
[2-oxo-1-pyridin-2-yl-2-(thiophen-2-ylmethylamino)ethyl] thiophene-2-carboxylate has a molecular weight of 358.44 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-1-pyridin-2-yl-2-(thiophen-2-ylmethylamino)ethyl] thiophene-2-carboxylate is sourced from PubChem (CID 648315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).