N-(2,4-difluorophenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide

C16H12F2N2O3S — CID 54733575

IUPACN-(2,4-difluorophenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide
SMILESCCn1c(=O)c(C(=O)Nc2ccc(F)cc2F)c(O)c2sccc21
InChIInChI=1S/C16H12F2N2O3S/c1-2-20-11-5-6-24-14(11)13(21)12(16(20)23)15(22)19-10-4-3-8(17)7-9(10)18/h3-7,21H,2H2,1H3,(H,19,22)
InChIKeyVZFGJJHHSACEHG-UHFFFAOYSA-N
MW350.35 g/mol
LogP3.32
Rot. Bonds3

About N-(2,4-difluorophenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide

N-(2,4-difluorophenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide (PubChem CID 54733575) has the molecular formula C16H12F2N2O3S and a molecular weight of 350.35 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide
PubChem CID54733575
Molecular FormulaC16H12F2N2O3S
Molecular Weight350.35 g/mol
Exact Mass350.05
IUPAC NameN-(2,4-difluorophenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide
SMILESCCn1c(=O)c(C(=O)Nc2ccc(F)cc2F)c(O)c2sccc21
InChIInChI=1S/C16H12F2N2O3S/c1-2-20-11-5-6-24-14(11)13(21)12(16(20)23)15(22)19-10-4-3-8(17)7-9(10)18/h3-7,21H,2H2,1H3,(H,19,22)
InChIKeyVZFGJJHHSACEHG-UHFFFAOYSA-N
XLogP3.32
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-1-methyl-2,2-dioxo-N-phenyl-1,2-dihydro-2lambda~6~-thieno[3,2-c][1,2]thiazine-3-carboxamide
CID 54682080
2-[(3-cyano-5-hydroxy-7-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
CID 54691625
4-Benzyl-N-butyl-7-hydroxy-5-oxo-4H,5H-thieno[3,2-B]pyridine-6-carboxamide
CID 54734557
4-benzyl-7-hydroxy-5-oxo-N-phenyl-4H,5H-thieno[3,2-b]pyridine-6-carboxamide
CID 54728186
N-(2-chloro-5-(trifluoromethyl)phenyl)-7-hydroxy-4-methyl-5-oxo-4,5-dihydrothieno[3,2-b]pyridine-6-carboxamide
CID 54733546
N-(4-chloro-3-(trifluoromethyl)phenyl)-7-hydroxy-4-methyl-5-oxo-4,5-dihydrothieno[3,2-b]pyridine-6-carboxamide
CID 54733556
N-(4-bromo-2-fluorophenyl)-7-hydroxy-5-oxo-4-propyl-4,5-dihydrothieno[3,2-b]pyridine-6-carboxamide
CID 54733590
7-hydroxy-5-oxo-N-{[3-(trifluoromethyl)phenyl]methyl}-4H,5H-thieno[3,2-b]pyridine-6-carboxamide
CID 54733601
4-benzyl-7-hydroxy-5-oxo-N-(2-phenylethyl)-4H,5H-thieno[3,2-b]pyridine-6-carboxamide
CID 54733605
N-(2-methylphenyl)-2-[6-(4-methylphenyl)-2-(methylthio)-5,7-dioxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-4(5H)-yl]acetamide
CID 54733609
4-Benzyl-N-[(4-fluorophenyl)methyl]-7-hydroxy-5-oxo-4H,5H-thieno[3,2-B]pyridine-6-carboxamide
CID 54734552
4-Benzyl-7-hydroxy-5-oxo-N-(1-phenylethyl)-4H,5H-thieno[3,2-B]pyridine-6-carboxamide
CID 54734554

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide (CID 54733575) is N-(2,4-difluorophenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide is CCn1c(=O)c(C(=O)Nc2ccc(F)cc2F)c(O)c2sccc21.
What is the InChIKey of N-(2,4-difluorophenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide?
The InChIKey is VZFGJJHHSACEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O3S/c1-2-20-11-5-6-24-14(11)13(21)12(16(20)23)15(22)19-10-4-3-8(17)7-9(10)18/h3-7,21H,2H2,1H3,(H,19,22).
What are the key properties of N-(2,4-difluorophenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide?
N-(2,4-difluorophenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide has a molecular weight of 350.35 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 54733575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).