2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]-N-(3-cyanophenyl)acetamide

C17H10N4O3S2 — CID 54691656

IUPAC2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]-N-(3-cyanophenyl)acetamide
SMILESN#Cc1cccc(NC(=O)CSc2sc3c(O)cc(=O)[nH]c3c2C#N)c1
InChIInChI=1S/C17H10N4O3S2/c18-6-9-2-1-3-10(4-9)20-14(24)8-25-17-11(7-19)15-16(26-17)12(22)5-13(23)21-15/h1-5H,8H2,(H,20,24)(H2,21,22,23)
InChIKeyOBOFFTQBSKCCHO-UHFFFAOYSA-N
MW382.43 g/mol
LogP2.77
Rot. Bonds4

About 2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]-N-(3-cyanophenyl)acetamide

2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]-N-(3-cyanophenyl)acetamide (PubChem CID 54691656) has the molecular formula C17H10N4O3S2 and a molecular weight of 382.43 g/mol. Its IUPAC name is 2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]-N-(3-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]-N-(3-cyanophenyl)acetamide
PubChem CID54691656
Molecular FormulaC17H10N4O3S2
Molecular Weight382.43 g/mol
Exact Mass382.02
IUPAC Name2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]-N-(3-cyanophenyl)acetamide
SMILESN#Cc1cccc(NC(=O)CSc2sc3c(O)cc(=O)[nH]c3c2C#N)c1
InChIInChI=1S/C17H10N4O3S2/c18-6-9-2-1-3-10(4-9)20-14(24)8-25-17-11(7-19)15-16(26-17)12(22)5-13(23)21-15/h1-5H,8H2,(H,20,24)(H2,21,22,23)
InChIKeyOBOFFTQBSKCCHO-UHFFFAOYSA-N
XLogP2.77
TPSA129.77 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]-N-(3-cyanophenyl)acetamide 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-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]-N-(3-cyanophenyl)acetamide?
The IUPAC name of 2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]-N-(3-cyanophenyl)acetamide (CID 54691656) is 2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]-N-(3-cyanophenyl)acetamide.
What is the SMILES notation for 2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]-N-(3-cyanophenyl)acetamide?
The canonical SMILES for 2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]-N-(3-cyanophenyl)acetamide is N#Cc1cccc(NC(=O)CSc2sc3c(O)cc(=O)[nH]c3c2C#N)c1.
What is the InChIKey of 2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]-N-(3-cyanophenyl)acetamide?
The InChIKey is OBOFFTQBSKCCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N4O3S2/c18-6-9-2-1-3-10(4-9)20-14(24)8-25-17-11(7-19)15-16(26-17)12(22)5-13(23)21-15/h1-5H,8H2,(H,20,24)(H2,21,22,23).
What are the key properties of 2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]-N-(3-cyanophenyl)acetamide?
2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]-N-(3-cyanophenyl)acetamide has a molecular weight of 382.43 g/mol, XLogP of 2.77, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]-N-(3-cyanophenyl)acetamide is sourced from PubChem (CID 54691656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).