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

C21H14F2N2OS — CID 69075091

IUPAC3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1sc2ncccc2c1-c1ccc(F)cc1
InChIInChI=1S/C21H14F2N2OS/c22-15-7-3-13(4-8-15)12-25-20(26)19-18(14-5-9-16(23)10-6-14)17-2-1-11-24-21(17)27-19/h1-11H,12H2,(H,25,26)
InChIKeyGHDMPHUWTMIYHF-UHFFFAOYSA-N
MW380.42 g/mol
LogP5.17
Rot. Bonds4

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

3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 69075091) has the molecular formula C21H14F2N2OS and a molecular weight of 380.42 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID69075091
Molecular FormulaC21H14F2N2OS
Molecular Weight380.42 g/mol
Exact Mass380.08
IUPAC Name3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1sc2ncccc2c1-c1ccc(F)cc1
InChIInChI=1S/C21H14F2N2OS/c22-15-7-3-13(4-8-15)12-25-20(26)19-18(14-5-9-16(23)10-6-14)17-2-1-11-24-21(17)27-19/h1-11H,12H2,(H,25,26)
InChIKeyGHDMPHUWTMIYHF-UHFFFAOYSA-N
XLogP5.17
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.42
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide (CID 69075091) is 3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide is O=C(NCc1ccc(F)cc1)c1sc2ncccc2c1-c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is GHDMPHUWTMIYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N2OS/c22-15-7-3-13(4-8-15)12-25-20(26)19-18(14-5-9-16(23)10-6-14)17-2-1-11-24-21(17)27-19/h1-11H,12H2,(H,25,26).
What are the key properties of 3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide?
3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 69075091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).