ethane;N-(2-methylphenyl)-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide

C19H24N2O2S — CID 90755092

IUPACethane;N-(2-methylphenyl)-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide
SMILESCC.CC.Cc1ccccc1NC(=O)c1c[nH]c2ccsc2c1=O
InChIInChI=1S/C15H12N2O2S.2C2H6/c1-9-4-2-3-5-11(9)17-15(19)10-8-16-12-6-7-20-14(12)13(10)18;2*1-2/h2-8H,1H3,(H,16,18)(H,17,19);2*1-2H3
InChIKeyXVWLRZQNXSGGOQ-UHFFFAOYSA-N
MW344.48 g/mol
LogP5.20
Rot. Bonds2

About ethane;N-(2-methylphenyl)-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide

ethane;N-(2-methylphenyl)-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide (PubChem CID 90755092) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is ethane;N-(2-methylphenyl)-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Nameethane;N-(2-methylphenyl)-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide
PubChem CID90755092
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Nameethane;N-(2-methylphenyl)-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide
SMILESCC.CC.Cc1ccccc1NC(=O)c1c[nH]c2ccsc2c1=O
InChIInChI=1S/C15H12N2O2S.2C2H6/c1-9-4-2-3-5-11(9)17-15(19)10-8-16-12-6-7-20-14(12)13(10)18;2*1-2/h2-8H,1H3,(H,16,18)(H,17,19);2*1-2H3
InChIKeyXVWLRZQNXSGGOQ-UHFFFAOYSA-N
XLogP5.20
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.48
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;N-(2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide;propane
CID 90785095
ethane;4-oxo-N-phenyl-7H-thieno[2,3-b]pyridine-5-carboxamide;7-oxo-N-phenyl-4H-thieno[3,2-b]pyridine-6-carboxamide
CID 160697572
7-oxo-4H-thieno[3,2-b]pyridine-6-carboxylic acid
CID 11008836
ethane;methane;N-methyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide;N-methyl-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide
CID 160965950
7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide
CID 67551476
N-(1H-indol-6-yl)-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide
CID 89441033
4,5-dimethyl-N-(2-methylphenyl)thiophene-3-carboxamide
CID 84554418
N-methyl-4H-thieno[3,2-b]pyrrole-6-carboxamide
CID 142514452
3-methyl-N-(2-methylphenyl)thiophene-2-carboxamide
CID 8714089
N-(5-hydroxy-2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 169084828
N-(2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide
CID 23633101
3-hydroxy-2-methyl-N-(2-methylphenyl)benzamide
CID 82786919

Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-methylphenyl)-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide?
The IUPAC name of ethane;N-(2-methylphenyl)-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide (CID 90755092) is ethane;N-(2-methylphenyl)-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for ethane;N-(2-methylphenyl)-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for ethane;N-(2-methylphenyl)-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide is CC.CC.Cc1ccccc1NC(=O)c1c[nH]c2ccsc2c1=O.
What is the InChIKey of ethane;N-(2-methylphenyl)-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide?
The InChIKey is XVWLRZQNXSGGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S.2C2H6/c1-9-4-2-3-5-11(9)17-15(19)10-8-16-12-6-7-20-14(12)13(10)18;2*1-2/h2-8H,1H3,(H,16,18)(H,17,19);2*1-2H3.
What are the key properties of ethane;N-(2-methylphenyl)-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide?
ethane;N-(2-methylphenyl)-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 5.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-methylphenyl)-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 90755092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).