4-oxo-N-(2-phenylphenyl)-7H-thieno[2,3-b]pyridine-5-carboxamide

C20H14N2O2S — CID 59396787

IUPAC4-oxo-N-(2-phenylphenyl)-7H-thieno[2,3-b]pyridine-5-carboxamide
SMILESO=C(Nc1ccccc1-c1ccccc1)c1c[nH]c2sccc2c1=O
InChIInChI=1S/C20H14N2O2S/c23-18-15-10-11-25-20(15)21-12-16(18)19(24)22-17-9-5-4-8-14(17)13-6-2-1-3-7-13/h1-12H,(H,21,23)(H,22,24)
InChIKeyIMTLWUICJAEXLB-UHFFFAOYSA-N
MW346.41 g/mol
LogP4.51
Rot. Bonds3

About 4-oxo-N-(2-phenylphenyl)-7H-thieno[2,3-b]pyridine-5-carboxamide

4-oxo-N-(2-phenylphenyl)-7H-thieno[2,3-b]pyridine-5-carboxamide (PubChem CID 59396787) has the molecular formula C20H14N2O2S and a molecular weight of 346.41 g/mol. Its IUPAC name is 4-oxo-N-(2-phenylphenyl)-7H-thieno[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(2-phenylphenyl)-7H-thieno[2,3-b]pyridine-5-carboxamide
PubChem CID59396787
Molecular FormulaC20H14N2O2S
Molecular Weight346.41 g/mol
Exact Mass346.08
IUPAC Name4-oxo-N-(2-phenylphenyl)-7H-thieno[2,3-b]pyridine-5-carboxamide
SMILESO=C(Nc1ccccc1-c1ccccc1)c1c[nH]c2sccc2c1=O
InChIInChI=1S/C20H14N2O2S/c23-18-15-10-11-25-20(15)21-12-16(18)19(24)22-17-9-5-4-8-14(17)13-6-2-1-3-7-13/h1-12H,(H,21,23)(H,22,24)
InChIKeyIMTLWUICJAEXLB-UHFFFAOYSA-N
XLogP4.51
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(2-phenylphenyl)-7H-thieno[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 4-oxo-N-(2-phenylphenyl)-7H-thieno[2,3-b]pyridine-5-carboxamide (CID 59396787) is 4-oxo-N-(2-phenylphenyl)-7H-thieno[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-oxo-N-(2-phenylphenyl)-7H-thieno[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 4-oxo-N-(2-phenylphenyl)-7H-thieno[2,3-b]pyridine-5-carboxamide is O=C(Nc1ccccc1-c1ccccc1)c1c[nH]c2sccc2c1=O.
What is the InChIKey of 4-oxo-N-(2-phenylphenyl)-7H-thieno[2,3-b]pyridine-5-carboxamide?
The InChIKey is IMTLWUICJAEXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O2S/c23-18-15-10-11-25-20(15)21-12-16(18)19(24)22-17-9-5-4-8-14(17)13-6-2-1-3-7-13/h1-12H,(H,21,23)(H,22,24).
What are the key properties of 4-oxo-N-(2-phenylphenyl)-7H-thieno[2,3-b]pyridine-5-carboxamide?
4-oxo-N-(2-phenylphenyl)-7H-thieno[2,3-b]pyridine-5-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 4.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(2-phenylphenyl)-7H-thieno[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 59396787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).