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

C36H44N4O4S2 — CID 160697572

IUPACethane;4-oxo-N-phenyl-7H-thieno[2,3-b]pyridine-5-carboxamide;7-oxo-N-phenyl-4H-thieno[3,2-b]pyridine-6-carboxamide
SMILESCC.CC.CC.CC.O=C(Nc1ccccc1)c1c[nH]c2ccsc2c1=O.O=C(Nc1ccccc1)c1c[nH]c2sccc2c1=O
InChIInChI=1S/2C14H10N2O2S.4C2H6/c17-12-10(8-15-11-6-7-19-13(11)12)14(18)16-9-4-2-1-3-5-9;17-12-10-6-7-19-14(10)15-8-11(12)13(18)16-9-4-2-1-3-5-9;4*1-2/h2*1-8H,(H,15,17)(H,16,18);4*1-2H3
InChIKeyRQEQJNURDIBMAI-UHFFFAOYSA-N
MW660.91 g/mol
LogP9.79
Rot. Bonds4

About 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

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 (PubChem CID 160697572) has the molecular formula C36H44N4O4S2 and a molecular weight of 660.91 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameethane;4-oxo-N-phenyl-7H-thieno[2,3-b]pyridine-5-carboxamide;7-oxo-N-phenyl-4H-thieno[3,2-b]pyridine-6-carboxamide
PubChem CID160697572
Molecular FormulaC36H44N4O4S2
Molecular Weight660.91 g/mol
Exact Mass660.28
IUPAC Nameethane;4-oxo-N-phenyl-7H-thieno[2,3-b]pyridine-5-carboxamide;7-oxo-N-phenyl-4H-thieno[3,2-b]pyridine-6-carboxamide
SMILESCC.CC.CC.CC.O=C(Nc1ccccc1)c1c[nH]c2ccsc2c1=O.O=C(Nc1ccccc1)c1c[nH]c2sccc2c1=O
InChIInChI=1S/2C14H10N2O2S.4C2H6/c17-12-10(8-15-11-6-7-19-13(11)12)14(18)16-9-4-2-1-3-5-9;17-12-10-6-7-19-14(10)15-8-11(12)13(18)16-9-4-2-1-3-5-9;4*1-2/h2*1-8H,(H,15,17)(H,16,18);4*1-2H3
InChIKeyRQEQJNURDIBMAI-UHFFFAOYSA-N
XLogP9.79
TPSA123.92 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.91
LogP ≤ 59.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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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;7-oxo-N-phenyl-4H-thieno[3,2-b]pyridine-6-carboxamide?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC.CC.CC.CC.O=C(Nc1ccccc1)c1c[nH]c2ccsc2c1=O.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;7-oxo-N-phenyl-4H-thieno[3,2-b]pyridine-6-carboxamide?
The InChIKey is RQEQJNURDIBMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H10N2O2S.4C2H6/c17-12-10(8-15-11-6-7-19-13(11)12)14(18)16-9-4-2-1-3-5-9;17-12-10-6-7-19-14(10)15-8-11(12)13(18)16-9-4-2-1-3-5-9;4*1-2/h2*1-8H,(H,15,17)(H,16,18);4*1-2H3.
What are the key properties of 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?
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 has a molecular weight of 660.91 g/mol, XLogP of 9.79, 4 rotatable bonds, 4 hydrogen bond donors, and 6 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;7-oxo-N-phenyl-4H-thieno[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 160697572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).