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

C16H9ClFN3O3S2 — CID 54693342

IUPACN-(4-chloro-2-fluorophenyl)-2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]acetamide
SMILESN#Cc1c(SCC(=O)Nc2ccc(Cl)cc2F)sc2c(O)cc(=O)[nH]c12
InChIInChI=1S/C16H9ClFN3O3S2/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)
InChIKeyTVSMTDYAOSUDBW-UHFFFAOYSA-N
MW409.85 g/mol
LogP3.69
Rot. Bonds4

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

N-(4-chloro-2-fluorophenyl)-2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]acetamide (PubChem CID 54693342) has the molecular formula C16H9ClFN3O3S2 and a molecular weight of 409.85 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]acetamide
PubChem CID54693342
Molecular FormulaC16H9ClFN3O3S2
Molecular Weight409.85 g/mol
Exact Mass408.98
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]acetamide
SMILESN#Cc1c(SCC(=O)Nc2ccc(Cl)cc2F)sc2c(O)cc(=O)[nH]c12
InChIInChI=1S/C16H9ClFN3O3S2/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)
InChIKeyTVSMTDYAOSUDBW-UHFFFAOYSA-N
XLogP3.69
TPSA105.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.85
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]acetamide (CID 54693342) is N-(4-chloro-2-fluorophenyl)-2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]acetamide is N#Cc1c(SCC(=O)Nc2ccc(Cl)cc2F)sc2c(O)cc(=O)[nH]c12.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]acetamide?
The InChIKey is TVSMTDYAOSUDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClFN3O3S2/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 N-(4-chloro-2-fluorophenyl)-2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]acetamide?
N-(4-chloro-2-fluorophenyl)-2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]acetamide has a molecular weight of 409.85 g/mol, XLogP of 3.69, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-[(3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 54693342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).