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

C16H10FN3O3S2 — CID 54691625

IUPAC2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
SMILESN#Cc1c(SCC(=O)Nc2cccc(F)c2)sc2c(O)cc(=O)[nH]c12
InChIInChI=1S/C16H10FN3O3S2/c17-8-2-1-3-9(4-8)19-13(23)7-24-16-10(6-18)14-15(25-16)11(21)5-12(22)20-14/h1-5H,7H2,(H,19,23)(H2,20,21,22)
InChIKeySCXHSEMHSCHTCR-UHFFFAOYSA-N
MW375.41 g/mol
LogP3.04
Rot. Bonds4

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

2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide (PubChem CID 54691625) has the molecular formula C16H10FN3O3S2 and a molecular weight of 375.41 g/mol. Its IUPAC name is 2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
PubChem CID54691625
Molecular FormulaC16H10FN3O3S2
Molecular Weight375.41 g/mol
Exact Mass375.01
IUPAC Name2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
SMILESN#Cc1c(SCC(=O)Nc2cccc(F)c2)sc2c(O)cc(=O)[nH]c12
InChIInChI=1S/C16H10FN3O3S2/c17-8-2-1-3-9(4-8)19-13(23)7-24-16-10(6-18)14-15(25-16)11(21)5-12(22)20-14/h1-5H,7H2,(H,19,23)(H2,20,21,22)
InChIKeySCXHSEMHSCHTCR-UHFFFAOYSA-N
XLogP3.04
TPSA105.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 53.04
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-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide (CID 54691625) is 2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)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-fluorophenyl)acetamide?
The canonical SMILES for 2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide is N#Cc1c(SCC(=O)Nc2cccc(F)c2)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-(3-fluorophenyl)acetamide?
The InChIKey is SCXHSEMHSCHTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN3O3S2/c17-8-2-1-3-9(4-8)19-13(23)7-24-16-10(6-18)14-15(25-16)11(21)5-12(22)20-14/h1-5H,7H2,(H,19,23)(H2,20,21,22).
What are the key properties of 2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide?
2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide has a molecular weight of 375.41 g/mol, XLogP of 3.04, 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-(3-fluorophenyl)acetamide is sourced from PubChem (CID 54691625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).