3-amino-N-(2-phenylethyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide

C20H17N3OS2 — CID 56693847

IUPAC3-amino-N-(2-phenylethyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)NCCc2ccccc2)sc2nc(-c3cccs3)ccc12
InChIInChI=1S/C20H17N3OS2/c21-17-14-8-9-15(16-7-4-12-25-16)23-20(14)26-18(17)19(24)22-11-10-13-5-2-1-3-6-13/h1-9,12H,10-11,21H2,(H,22,24)
InChIKeyJMTAJKARRVVNFW-UHFFFAOYSA-N
MW379.51 g/mol
LogP4.58
Rot. Bonds5

About 3-amino-N-(2-phenylethyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(2-phenylethyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 56693847) has the molecular formula C20H17N3OS2 and a molecular weight of 379.51 g/mol. Its IUPAC name is 3-amino-N-(2-phenylethyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-phenylethyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID56693847
Molecular FormulaC20H17N3OS2
Molecular Weight379.51 g/mol
Exact Mass379.08
IUPAC Name3-amino-N-(2-phenylethyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)NCCc2ccccc2)sc2nc(-c3cccs3)ccc12
InChIInChI=1S/C20H17N3OS2/c21-17-14-8-9-15(16-7-4-12-25-16)23-20(14)26-18(17)19(24)22-11-10-13-5-2-1-3-6-13/h1-9,12H,10-11,21H2,(H,22,24)
InChIKeyJMTAJKARRVVNFW-UHFFFAOYSA-N
XLogP4.58
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-(2-phenylethyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide 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 3-amino-N-(2-phenylethyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(2-phenylethyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide (CID 56693847) is 3-amino-N-(2-phenylethyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-phenylethyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-phenylethyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide is Nc1c(C(=O)NCCc2ccccc2)sc2nc(-c3cccs3)ccc12.
What is the InChIKey of 3-amino-N-(2-phenylethyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is JMTAJKARRVVNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS2/c21-17-14-8-9-15(16-7-4-12-25-16)23-20(14)26-18(17)19(24)22-11-10-13-5-2-1-3-6-13/h1-9,12H,10-11,21H2,(H,22,24).
What are the key properties of 3-amino-N-(2-phenylethyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(2-phenylethyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 379.51 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-phenylethyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 56693847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).