1-[4-[(4-fluorophenyl)methoxy]phenyl]-2-pyridin-2-ylsulfanylethanone

C20H16FNO2S — CID 573314

IUPAC1-[4-[(4-fluorophenyl)methoxy]phenyl]-2-pyridin-2-ylsulfanylethanone
SMILESO=C(CSc1ccccn1)c1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C20H16FNO2S/c21-17-8-4-15(5-9-17)13-24-18-10-6-16(7-11-18)19(23)14-25-20-3-1-2-12-22-20/h1-12H,13-14H2
InChIKeyJXQLQRGCYCRWQA-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.77
Rot. Bonds7

About 1-[4-[(4-fluorophenyl)methoxy]phenyl]-2-pyridin-2-ylsulfanylethanone

1-[4-[(4-fluorophenyl)methoxy]phenyl]-2-pyridin-2-ylsulfanylethanone (PubChem CID 573314) has the molecular formula C20H16FNO2S and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-[4-[(4-fluorophenyl)methoxy]phenyl]-2-pyridin-2-ylsulfanylethanone.

Molecular Properties

Compound Name1-[4-[(4-fluorophenyl)methoxy]phenyl]-2-pyridin-2-ylsulfanylethanone
PubChem CID573314
Molecular FormulaC20H16FNO2S
Molecular Weight353.42 g/mol
Exact Mass353.09
IUPAC Name1-[4-[(4-fluorophenyl)methoxy]phenyl]-2-pyridin-2-ylsulfanylethanone
SMILESO=C(CSc1ccccn1)c1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C20H16FNO2S/c21-17-8-4-15(5-9-17)13-24-18-10-6-16(7-11-18)19(23)14-25-20-3-1-2-12-22-20/h1-12H,13-14H2
InChIKeyJXQLQRGCYCRWQA-UHFFFAOYSA-N
XLogP4.77
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-fluorophenyl)methoxy]phenyl]-2-pyridin-2-ylsulfanylethanone?
The IUPAC name of 1-[4-[(4-fluorophenyl)methoxy]phenyl]-2-pyridin-2-ylsulfanylethanone (CID 573314) is 1-[4-[(4-fluorophenyl)methoxy]phenyl]-2-pyridin-2-ylsulfanylethanone.
What is the SMILES notation for 1-[4-[(4-fluorophenyl)methoxy]phenyl]-2-pyridin-2-ylsulfanylethanone?
The canonical SMILES for 1-[4-[(4-fluorophenyl)methoxy]phenyl]-2-pyridin-2-ylsulfanylethanone is O=C(CSc1ccccn1)c1ccc(OCc2ccc(F)cc2)cc1.
What is the InChIKey of 1-[4-[(4-fluorophenyl)methoxy]phenyl]-2-pyridin-2-ylsulfanylethanone?
The InChIKey is JXQLQRGCYCRWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO2S/c21-17-8-4-15(5-9-17)13-24-18-10-6-16(7-11-18)19(23)14-25-20-3-1-2-12-22-20/h1-12H,13-14H2.
What are the key properties of 1-[4-[(4-fluorophenyl)methoxy]phenyl]-2-pyridin-2-ylsulfanylethanone?
1-[4-[(4-fluorophenyl)methoxy]phenyl]-2-pyridin-2-ylsulfanylethanone has a molecular weight of 353.42 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-fluorophenyl)methoxy]phenyl]-2-pyridin-2-ylsulfanylethanone is sourced from PubChem (CID 573314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).