4-benzyl-7-hydroxy-5-oxo-N-(2-thiophen-2-ylethyl)thieno[3,2-b]pyridine-6-carboxamide

C21H18N2O3S2 — CID 54734571

IUPAC4-benzyl-7-hydroxy-5-oxo-N-(2-thiophen-2-ylethyl)thieno[3,2-b]pyridine-6-carboxamide
SMILESO=C(NCCc1cccs1)c1c(O)c2sccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C21H18N2O3S2/c24-18-17(20(25)22-10-8-15-7-4-11-27-15)21(26)23(16-9-12-28-19(16)18)13-14-5-2-1-3-6-14/h1-7,9,11-12,24H,8,10,13H2,(H,22,25)
InChIKeyBOUHEXZKPXGUBT-UHFFFAOYSA-N
MW410.52 g/mol
LogP3.85
Rot. Bonds6

About 4-benzyl-7-hydroxy-5-oxo-N-(2-thiophen-2-ylethyl)thieno[3,2-b]pyridine-6-carboxamide

4-benzyl-7-hydroxy-5-oxo-N-(2-thiophen-2-ylethyl)thieno[3,2-b]pyridine-6-carboxamide (PubChem CID 54734571) has the molecular formula C21H18N2O3S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 4-benzyl-7-hydroxy-5-oxo-N-(2-thiophen-2-ylethyl)thieno[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name4-benzyl-7-hydroxy-5-oxo-N-(2-thiophen-2-ylethyl)thieno[3,2-b]pyridine-6-carboxamide
PubChem CID54734571
Molecular FormulaC21H18N2O3S2
Molecular Weight410.52 g/mol
Exact Mass410.08
IUPAC Name4-benzyl-7-hydroxy-5-oxo-N-(2-thiophen-2-ylethyl)thieno[3,2-b]pyridine-6-carboxamide
SMILESO=C(NCCc1cccs1)c1c(O)c2sccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C21H18N2O3S2/c24-18-17(20(25)22-10-8-15-7-4-11-27-15)21(26)23(16-9-12-28-19(16)18)13-14-5-2-1-3-6-14/h1-7,9,11-12,24H,8,10,13H2,(H,22,25)
InChIKeyBOUHEXZKPXGUBT-UHFFFAOYSA-N
XLogP3.85
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-benzyl-7-hydroxy-5-oxo-N-(2-thiophen-2-ylethyl)thieno[3,2-b]pyridine-6-carboxamide with MolForge

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Related Compounds

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
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
4-benzyl-N-[(3-chlorophenyl)methyl]-7-hydroxy-5-oxo-4H,5H-thieno[3,2-b]pyridine-6-carboxamide
CID 54734555
4-Benzyl-N-[(2-chlorophenyl)methyl]-7-hydroxy-5-oxo-4H,5H-thieno[3,2-B]pyridine-6-carboxamide
CID 54734558
4-Benzyl-N-[(4-chlorophenyl)methyl]-7-hydroxy-5-oxo-4H,5H-thieno[3,2-B]pyridine-6-carboxamide
CID 54734559
4-Benzyl-7-hydroxy-5-oxo-N-[(oxolan-2-YL)methyl]-4H,5H-thieno[3,2-B]pyridine-6-carboxamide
CID 54734561
4-benzyl-N-(sec-butyl)-7-hydroxy-5-oxo-4,5-dihydrothieno[3,2-b]pyridine-6-carboxamide
CID 54734562

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-7-hydroxy-5-oxo-N-(2-thiophen-2-ylethyl)thieno[3,2-b]pyridine-6-carboxamide?
The IUPAC name of 4-benzyl-7-hydroxy-5-oxo-N-(2-thiophen-2-ylethyl)thieno[3,2-b]pyridine-6-carboxamide (CID 54734571) is 4-benzyl-7-hydroxy-5-oxo-N-(2-thiophen-2-ylethyl)thieno[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for 4-benzyl-7-hydroxy-5-oxo-N-(2-thiophen-2-ylethyl)thieno[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for 4-benzyl-7-hydroxy-5-oxo-N-(2-thiophen-2-ylethyl)thieno[3,2-b]pyridine-6-carboxamide is O=C(NCCc1cccs1)c1c(O)c2sccc2n(Cc2ccccc2)c1=O.
What is the InChIKey of 4-benzyl-7-hydroxy-5-oxo-N-(2-thiophen-2-ylethyl)thieno[3,2-b]pyridine-6-carboxamide?
The InChIKey is BOUHEXZKPXGUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3S2/c24-18-17(20(25)22-10-8-15-7-4-11-27-15)21(26)23(16-9-12-28-19(16)18)13-14-5-2-1-3-6-14/h1-7,9,11-12,24H,8,10,13H2,(H,22,25).
What are the key properties of 4-benzyl-7-hydroxy-5-oxo-N-(2-thiophen-2-ylethyl)thieno[3,2-b]pyridine-6-carboxamide?
4-benzyl-7-hydroxy-5-oxo-N-(2-thiophen-2-ylethyl)thieno[3,2-b]pyridine-6-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-7-hydroxy-5-oxo-N-(2-thiophen-2-ylethyl)thieno[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 54734571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).