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

C20H16N2O3S2 — CID 54734564

IUPAC4-benzyl-7-hydroxy-5-oxo-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridine-6-carboxamide
SMILESO=C(NCc1cccs1)c1c(O)c2sccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C20H16N2O3S2/c23-17-16(19(24)21-11-14-7-4-9-26-14)20(25)22(15-8-10-27-18(15)17)12-13-5-2-1-3-6-13/h1-10,23H,11-12H2,(H,21,24)
InChIKeyDFCKXOUQPYFJKG-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.81
Rot. Bonds5

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

4-benzyl-7-hydroxy-5-oxo-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridine-6-carboxamide (PubChem CID 54734564) has the molecular formula C20H16N2O3S2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 4-benzyl-7-hydroxy-5-oxo-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name4-benzyl-7-hydroxy-5-oxo-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridine-6-carboxamide
PubChem CID54734564
Molecular FormulaC20H16N2O3S2
Molecular Weight396.49 g/mol
Exact Mass396.06
IUPAC Name4-benzyl-7-hydroxy-5-oxo-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridine-6-carboxamide
SMILESO=C(NCc1cccs1)c1c(O)c2sccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C20H16N2O3S2/c23-17-16(19(24)21-11-14-7-4-9-26-14)20(25)22(15-8-10-27-18(15)17)12-13-5-2-1-3-6-13/h1-10,23H,11-12H2,(H,21,24)
InChIKeyDFCKXOUQPYFJKG-UHFFFAOYSA-N
XLogP3.81
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.81
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-5-oxo-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridine-6-carboxamide?
The IUPAC name of 4-benzyl-7-hydroxy-5-oxo-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridine-6-carboxamide (CID 54734564) is 4-benzyl-7-hydroxy-5-oxo-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for 4-benzyl-7-hydroxy-5-oxo-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for 4-benzyl-7-hydroxy-5-oxo-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridine-6-carboxamide is O=C(NCc1cccs1)c1c(O)c2sccc2n(Cc2ccccc2)c1=O.
What is the InChIKey of 4-benzyl-7-hydroxy-5-oxo-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridine-6-carboxamide?
The InChIKey is DFCKXOUQPYFJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3S2/c23-17-16(19(24)21-11-14-7-4-9-26-14)20(25)22(15-8-10-27-18(15)17)12-13-5-2-1-3-6-13/h1-10,23H,11-12H2,(H,21,24).
What are the key properties of 4-benzyl-7-hydroxy-5-oxo-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridine-6-carboxamide?
4-benzyl-7-hydroxy-5-oxo-N-(thiophen-2-ylmethyl)thieno[3,2-b]pyridine-6-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 3.81, 5 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-(thiophen-2-ylmethyl)thieno[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 54734564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).