N,3-bis(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide

C20H12F2N2OS — CID 58026319

IUPACN,3-bis(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1sc2ncccc2c1-c1ccc(F)cc1
InChIInChI=1S/C20H12F2N2OS/c21-13-5-3-12(4-6-13)17-16-2-1-11-23-20(16)26-18(17)19(25)24-15-9-7-14(22)8-10-15/h1-11H,(H,24,25)
InChIKeyKAXFXLDUIDCUGM-UHFFFAOYSA-N
MW366.39 g/mol
LogP5.49
Rot. Bonds3

About N,3-bis(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide

N,3-bis(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 58026319) has the molecular formula C20H12F2N2OS and a molecular weight of 366.39 g/mol. Its IUPAC name is N,3-bis(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN,3-bis(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID58026319
Molecular FormulaC20H12F2N2OS
Molecular Weight366.39 g/mol
Exact Mass366.06
IUPAC NameN,3-bis(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1sc2ncccc2c1-c1ccc(F)cc1
InChIInChI=1S/C20H12F2N2OS/c21-13-5-3-12(4-6-13)17-16-2-1-11-23-20(16)26-18(17)19(25)24-15-9-7-14(22)8-10-15/h1-11H,(H,24,25)
InChIKeyKAXFXLDUIDCUGM-UHFFFAOYSA-N
XLogP5.49
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.39
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,3-bis(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N,3-bis(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide (CID 58026319) is N,3-bis(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N,3-bis(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N,3-bis(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide is O=C(Nc1ccc(F)cc1)c1sc2ncccc2c1-c1ccc(F)cc1.
What is the InChIKey of N,3-bis(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is KAXFXLDUIDCUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F2N2OS/c21-13-5-3-12(4-6-13)17-16-2-1-11-23-20(16)26-18(17)19(25)24-15-9-7-14(22)8-10-15/h1-11H,(H,24,25).
What are the key properties of N,3-bis(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide?
N,3-bis(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 366.39 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-bis(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 58026319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).