[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-phenylmethanone

C22H14FNOS — CID 118911855

IUPAC[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C22H14FNOS/c23-18-8-6-17(7-9-18)22-19(15-10-12-24-13-11-15)14-20(26-22)21(25)16-4-2-1-3-5-16/h1-14H
InChIKeyOTSUEOGSOKLXFI-UHFFFAOYSA-N
MW359.43 g/mol
LogP5.85
Rot. Bonds4

About [5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-phenylmethanone

[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-phenylmethanone (PubChem CID 118911855) has the molecular formula C22H14FNOS and a molecular weight of 359.43 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-phenylmethanone
PubChem CID118911855
Molecular FormulaC22H14FNOS
Molecular Weight359.43 g/mol
Exact Mass359.08
IUPAC Name[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C22H14FNOS/c23-18-8-6-17(7-9-18)22-19(15-10-12-24-13-11-15)14-20(26-22)21(25)16-4-2-1-3-5-16/h1-14H
InChIKeyOTSUEOGSOKLXFI-UHFFFAOYSA-N
XLogP5.85
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.43
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-phenylmethanone?
The IUPAC name of [5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-phenylmethanone (CID 118911855) is [5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-phenylmethanone.
What is the SMILES notation for [5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-phenylmethanone?
The canonical SMILES for [5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-phenylmethanone is O=C(c1ccccc1)c1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1.
What is the InChIKey of [5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-phenylmethanone?
The InChIKey is OTSUEOGSOKLXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14FNOS/c23-18-8-6-17(7-9-18)22-19(15-10-12-24-13-11-15)14-20(26-22)21(25)16-4-2-1-3-5-16/h1-14H.
What are the key properties of [5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-phenylmethanone?
[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-phenylmethanone has a molecular weight of 359.43 g/mol, XLogP of 5.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-phenylmethanone is sourced from PubChem (CID 118911855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).