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

C23H20N2O3S — CID 54733605

IUPAC4-benzyl-7-hydroxy-5-oxo-N-(2-phenylethyl)thieno[3,2-b]pyridine-6-carboxamide
SMILESO=C(NCCc1ccccc1)c1c(O)c2sccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C23H20N2O3S/c26-20-19(22(27)24-13-11-16-7-3-1-4-8-16)23(28)25(18-12-14-29-21(18)20)15-17-9-5-2-6-10-17/h1-10,12,14,26H,11,13,15H2,(H,24,27)
InChIKeyAZIDNVRJPPDAJT-UHFFFAOYSA-N
MW404.49 g/mol
LogP3.79
Rot. Bonds6

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

4-benzyl-7-hydroxy-5-oxo-N-(2-phenylethyl)thieno[3,2-b]pyridine-6-carboxamide (PubChem CID 54733605) has the molecular formula C23H20N2O3S and a molecular weight of 404.49 g/mol. Its IUPAC name is 4-benzyl-7-hydroxy-5-oxo-N-(2-phenylethyl)thieno[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name4-benzyl-7-hydroxy-5-oxo-N-(2-phenylethyl)thieno[3,2-b]pyridine-6-carboxamide
PubChem CID54733605
Molecular FormulaC23H20N2O3S
Molecular Weight404.49 g/mol
Exact Mass404.12
IUPAC Name4-benzyl-7-hydroxy-5-oxo-N-(2-phenylethyl)thieno[3,2-b]pyridine-6-carboxamide
SMILESO=C(NCCc1ccccc1)c1c(O)c2sccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C23H20N2O3S/c26-20-19(22(27)24-13-11-16-7-3-1-4-8-16)23(28)25(18-12-14-29-21(18)20)15-17-9-5-2-6-10-17/h1-10,12,14,26H,11,13,15H2,(H,24,27)
InChIKeyAZIDNVRJPPDAJT-UHFFFAOYSA-N
XLogP3.79
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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
7-Hydroxy-6-phenyl-4H-thieno[3,2-b]
CID 54724699
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-N-[(4-methoxyphenyl)methyl]-5-oxo-4H,5H-thieno[3,2-b]pyridine-6-carboxamide
CID 54733608
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

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-7-hydroxy-5-oxo-N-(2-phenylethyl)thieno[3,2-b]pyridine-6-carboxamide?
The IUPAC name of 4-benzyl-7-hydroxy-5-oxo-N-(2-phenylethyl)thieno[3,2-b]pyridine-6-carboxamide (CID 54733605) is 4-benzyl-7-hydroxy-5-oxo-N-(2-phenylethyl)thieno[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for 4-benzyl-7-hydroxy-5-oxo-N-(2-phenylethyl)thieno[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for 4-benzyl-7-hydroxy-5-oxo-N-(2-phenylethyl)thieno[3,2-b]pyridine-6-carboxamide is O=C(NCCc1ccccc1)c1c(O)c2sccc2n(Cc2ccccc2)c1=O.
What is the InChIKey of 4-benzyl-7-hydroxy-5-oxo-N-(2-phenylethyl)thieno[3,2-b]pyridine-6-carboxamide?
The InChIKey is AZIDNVRJPPDAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3S/c26-20-19(22(27)24-13-11-16-7-3-1-4-8-16)23(28)25(18-12-14-29-21(18)20)15-17-9-5-2-6-10-17/h1-10,12,14,26H,11,13,15H2,(H,24,27).
What are the key properties of 4-benzyl-7-hydroxy-5-oxo-N-(2-phenylethyl)thieno[3,2-b]pyridine-6-carboxamide?
4-benzyl-7-hydroxy-5-oxo-N-(2-phenylethyl)thieno[3,2-b]pyridine-6-carboxamide has a molecular weight of 404.49 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-7-hydroxy-5-oxo-N-(2-phenylethyl)thieno[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 54733605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).