ethane;4-oxo-N-phenyl-7H-thieno[2,3-b]pyridine-5-carboxamide

C18H22N2O2S — CID 90939126

IUPACethane;4-oxo-N-phenyl-7H-thieno[2,3-b]pyridine-5-carboxamide
SMILESCC.CC.O=C(Nc1ccccc1)c1c[nH]c2sccc2c1=O
InChIInChI=1S/C14H10N2O2S.2C2H6/c17-12-10-6-7-19-14(10)15-8-11(12)13(18)16-9-4-2-1-3-5-9;2*1-2/h1-8H,(H,15,17)(H,16,18);2*1-2H3
InChIKeyLWDZGNSGKBXOFM-UHFFFAOYSA-N
MW330.45 g/mol
LogP4.89
Rot. Bonds2

About ethane;4-oxo-N-phenyl-7H-thieno[2,3-b]pyridine-5-carboxamide

ethane;4-oxo-N-phenyl-7H-thieno[2,3-b]pyridine-5-carboxamide (PubChem CID 90939126) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is ethane;4-oxo-N-phenyl-7H-thieno[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Nameethane;4-oxo-N-phenyl-7H-thieno[2,3-b]pyridine-5-carboxamide
PubChem CID90939126
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Nameethane;4-oxo-N-phenyl-7H-thieno[2,3-b]pyridine-5-carboxamide
SMILESCC.CC.O=C(Nc1ccccc1)c1c[nH]c2sccc2c1=O
InChIInChI=1S/C14H10N2O2S.2C2H6/c17-12-10-6-7-19-14(10)15-8-11(12)13(18)16-9-4-2-1-3-5-9;2*1-2/h1-8H,(H,15,17)(H,16,18);2*1-2H3
InChIKeyLWDZGNSGKBXOFM-UHFFFAOYSA-N
XLogP4.89
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;4-oxo-N-phenyl-7H-thieno[2,3-b]pyridine-5-carboxamide?
The IUPAC name of ethane;4-oxo-N-phenyl-7H-thieno[2,3-b]pyridine-5-carboxamide (CID 90939126) is ethane;4-oxo-N-phenyl-7H-thieno[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for ethane;4-oxo-N-phenyl-7H-thieno[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for ethane;4-oxo-N-phenyl-7H-thieno[2,3-b]pyridine-5-carboxamide is CC.CC.O=C(Nc1ccccc1)c1c[nH]c2sccc2c1=O.
What is the InChIKey of ethane;4-oxo-N-phenyl-7H-thieno[2,3-b]pyridine-5-carboxamide?
The InChIKey is LWDZGNSGKBXOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2S.2C2H6/c17-12-10-6-7-19-14(10)15-8-11(12)13(18)16-9-4-2-1-3-5-9;2*1-2/h1-8H,(H,15,17)(H,16,18);2*1-2H3.
What are the key properties of ethane;4-oxo-N-phenyl-7H-thieno[2,3-b]pyridine-5-carboxamide?
ethane;4-oxo-N-phenyl-7H-thieno[2,3-b]pyridine-5-carboxamide has a molecular weight of 330.45 g/mol, XLogP of 4.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-oxo-N-phenyl-7H-thieno[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 90939126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).