4-benzyl-7-hydroxy-N-[(4-methoxyphenyl)methyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide

C23H20N2O4S — CID 54733608

IUPAC4-benzyl-7-hydroxy-N-[(4-methoxyphenyl)methyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide
SMILESCOc1ccc(CNC(=O)c2c(O)c3sccc3n(Cc3ccccc3)c2=O)cc1
InChIInChI=1S/C23H20N2O4S/c1-29-17-9-7-15(8-10-17)13-24-22(27)19-20(26)21-18(11-12-30-21)25(23(19)28)14-16-5-3-2-4-6-16/h2-12,26H,13-14H2,1H3,(H,24,27)
InChIKeyLPMFFYDPSIESTQ-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.76
Rot. Bonds6

About 4-benzyl-7-hydroxy-N-[(4-methoxyphenyl)methyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide

4-benzyl-7-hydroxy-N-[(4-methoxyphenyl)methyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide (PubChem CID 54733608) has the molecular formula C23H20N2O4S and a molecular weight of 420.49 g/mol. Its IUPAC name is 4-benzyl-7-hydroxy-N-[(4-methoxyphenyl)methyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name4-benzyl-7-hydroxy-N-[(4-methoxyphenyl)methyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide
PubChem CID54733608
Molecular FormulaC23H20N2O4S
Molecular Weight420.49 g/mol
Exact Mass420.11
IUPAC Name4-benzyl-7-hydroxy-N-[(4-methoxyphenyl)methyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide
SMILESCOc1ccc(CNC(=O)c2c(O)c3sccc3n(Cc3ccccc3)c2=O)cc1
InChIInChI=1S/C23H20N2O4S/c1-29-17-9-7-15(8-10-17)13-24-22(27)19-20(26)21-18(11-12-30-21)25(23(19)28)14-16-5-3-2-4-6-16/h2-12,26H,13-14H2,1H3,(H,24,27)
InChIKeyLPMFFYDPSIESTQ-UHFFFAOYSA-N
XLogP3.76
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-7-hydroxy-N-[(4-methoxyphenyl)methyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide?
The IUPAC name of 4-benzyl-7-hydroxy-N-[(4-methoxyphenyl)methyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide (CID 54733608) is 4-benzyl-7-hydroxy-N-[(4-methoxyphenyl)methyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for 4-benzyl-7-hydroxy-N-[(4-methoxyphenyl)methyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for 4-benzyl-7-hydroxy-N-[(4-methoxyphenyl)methyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide is COc1ccc(CNC(=O)c2c(O)c3sccc3n(Cc3ccccc3)c2=O)cc1.
What is the InChIKey of 4-benzyl-7-hydroxy-N-[(4-methoxyphenyl)methyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide?
The InChIKey is LPMFFYDPSIESTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4S/c1-29-17-9-7-15(8-10-17)13-24-22(27)19-20(26)21-18(11-12-30-21)25(23(19)28)14-16-5-3-2-4-6-16/h2-12,26H,13-14H2,1H3,(H,24,27).
What are the key properties of 4-benzyl-7-hydroxy-N-[(4-methoxyphenyl)methyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide?
4-benzyl-7-hydroxy-N-[(4-methoxyphenyl)methyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 3.76, 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-N-[(4-methoxyphenyl)methyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 54733608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).