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

C23H20N2O3S — CID 54734579

IUPAC4-benzyl-7-hydroxy-N-[(2-methylphenyl)methyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide
SMILESCc1ccccc1CNC(=O)c1c(O)c2sccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C23H20N2O3S/c1-15-7-5-6-10-17(15)13-24-22(27)19-20(26)21-18(11-12-29-21)25(23(19)28)14-16-8-3-2-4-9-16/h2-12,26H,13-14H2,1H3,(H,24,27)
InChIKeyKMLMIZLWIHCIBI-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.06
Rot. Bonds5

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

4-benzyl-7-hydroxy-N-[(2-methylphenyl)methyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide (PubChem CID 54734579) has the molecular formula C23H20N2O3S and a molecular weight of 404.49 g/mol. Its IUPAC name is 4-benzyl-7-hydroxy-N-[(2-methylphenyl)methyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name4-benzyl-7-hydroxy-N-[(2-methylphenyl)methyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide
PubChem CID54734579
Molecular FormulaC23H20N2O3S
Molecular Weight404.49 g/mol
Exact Mass404.12
IUPAC Name4-benzyl-7-hydroxy-N-[(2-methylphenyl)methyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide
SMILESCc1ccccc1CNC(=O)c1c(O)c2sccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C23H20N2O3S/c1-15-7-5-6-10-17(15)13-24-22(27)19-20(26)21-18(11-12-29-21)25(23(19)28)14-16-8-3-2-4-9-16/h2-12,26H,13-14H2,1H3,(H,24,27)
InChIKeyKMLMIZLWIHCIBI-UHFFFAOYSA-N
XLogP4.06
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[(2-methylphenyl)methyl]benzamide
CID 50815789
N-benzyl-4-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039049
N-(2-chlorophenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide
CID 54734493
N-[(4-methylphenyl)methyl]-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]phenyl]acetamide
CID 22428354
2-[(7-benzyl-4-hydroxy-6-oxothieno[2,3-b]pyridine-5-carbonyl)amino]acetic acid
CID 54741193
4-ethyl-7-hydroxy-N-(3-methylphenyl)-5-oxothieno[3,2-b]pyridine-6-carboxamide
CID 54734490
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 30445028
N-(3-chlorophenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide
CID 54734487
2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]phenyl]-N-phenylacetamide
CID 22428363
5-hydroxy-N-[(2-methylphenyl)methyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 135601735
CID 164984844
CID 164984844
2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 46357424

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-7-hydroxy-N-[(2-methylphenyl)methyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide?
The IUPAC name of 4-benzyl-7-hydroxy-N-[(2-methylphenyl)methyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide (CID 54734579) is 4-benzyl-7-hydroxy-N-[(2-methylphenyl)methyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for 4-benzyl-7-hydroxy-N-[(2-methylphenyl)methyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for 4-benzyl-7-hydroxy-N-[(2-methylphenyl)methyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide is Cc1ccccc1CNC(=O)c1c(O)c2sccc2n(Cc2ccccc2)c1=O.
What is the InChIKey of 4-benzyl-7-hydroxy-N-[(2-methylphenyl)methyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide?
The InChIKey is KMLMIZLWIHCIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3S/c1-15-7-5-6-10-17(15)13-24-22(27)19-20(26)21-18(11-12-29-21)25(23(19)28)14-16-8-3-2-4-9-16/h2-12,26H,13-14H2,1H3,(H,24,27).
What are the key properties of 4-benzyl-7-hydroxy-N-[(2-methylphenyl)methyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide?
4-benzyl-7-hydroxy-N-[(2-methylphenyl)methyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide has a molecular weight of 404.49 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-7-hydroxy-N-[(2-methylphenyl)methyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 54734579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).