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

C16H9Cl2N3O3S2 — CID 54691664

IUPAC2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]-N-(2,4-dichlorophenyl)acetamide
SMILESN#Cc1c(SCC(=O)Nc2ccc(Cl)cc2Cl)sc2c(O)cc(=O)[nH]c12
InChIInChI=1S/C16H9Cl2N3O3S2/c17-7-1-2-10(9(18)3-7)20-13(24)6-25-16-8(5-19)14-15(26-16)11(22)4-12(23)21-14/h1-4H,6H2,(H,20,24)(H2,21,22,23)
InChIKeyJQVITNRTEXVLTA-UHFFFAOYSA-N
MW426.31 g/mol
LogP4.20
Rot. Bonds4

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

2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]-N-(2,4-dichlorophenyl)acetamide (PubChem CID 54691664) has the molecular formula C16H9Cl2N3O3S2 and a molecular weight of 426.31 g/mol. Its IUPAC name is 2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]-N-(2,4-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]-N-(2,4-dichlorophenyl)acetamide
PubChem CID54691664
Molecular FormulaC16H9Cl2N3O3S2
Molecular Weight426.31 g/mol
Exact Mass424.95
IUPAC Name2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]-N-(2,4-dichlorophenyl)acetamide
SMILESN#Cc1c(SCC(=O)Nc2ccc(Cl)cc2Cl)sc2c(O)cc(=O)[nH]c12
InChIInChI=1S/C16H9Cl2N3O3S2/c17-7-1-2-10(9(18)3-7)20-13(24)6-25-16-8(5-19)14-15(26-16)11(22)4-12(23)21-14/h1-4H,6H2,(H,20,24)(H2,21,22,23)
InChIKeyJQVITNRTEXVLTA-UHFFFAOYSA-N
XLogP4.20
TPSA105.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.31
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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-(2,4-dichlorophenyl)acetamide?
The IUPAC name of 2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]-N-(2,4-dichlorophenyl)acetamide (CID 54691664) is 2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]-N-(2,4-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]-N-(2,4-dichlorophenyl)acetamide?
The canonical SMILES for 2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]-N-(2,4-dichlorophenyl)acetamide is N#Cc1c(SCC(=O)Nc2ccc(Cl)cc2Cl)sc2c(O)cc(=O)[nH]c12.
What is the InChIKey of 2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]-N-(2,4-dichlorophenyl)acetamide?
The InChIKey is JQVITNRTEXVLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2N3O3S2/c17-7-1-2-10(9(18)3-7)20-13(24)6-25-16-8(5-19)14-15(26-16)11(22)4-12(23)21-14/h1-4H,6H2,(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-(2,4-dichlorophenyl)acetamide?
2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]-N-(2,4-dichlorophenyl)acetamide has a molecular weight of 426.31 g/mol, XLogP of 4.20, 4 rotatable bonds, 3 hydrogen bond donors, and 6 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-(2,4-dichlorophenyl)acetamide is sourced from PubChem (CID 54691664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).