1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-2-pyridin-4-ylsulfanylethanone

C18H19FN2O2S — CID 45175161

IUPAC1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-2-pyridin-4-ylsulfanylethanone
SMILESO=C(CSc1ccncc1)N1CCOC(Cc2ccc(F)cc2)C1
InChIInChI=1S/C18H19FN2O2S/c19-15-3-1-14(2-4-15)11-16-12-21(9-10-23-16)18(22)13-24-17-5-7-20-8-6-17/h1-8,16H,9-13H2
InChIKeyXNXQEYWAOJINBJ-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.78
Rot. Bonds5

About 1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-2-pyridin-4-ylsulfanylethanone

1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-2-pyridin-4-ylsulfanylethanone (PubChem CID 45175161) has the molecular formula C18H19FN2O2S and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-2-pyridin-4-ylsulfanylethanone.

Molecular Properties

Compound Name1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-2-pyridin-4-ylsulfanylethanone
PubChem CID45175161
Molecular FormulaC18H19FN2O2S
Molecular Weight346.43 g/mol
Exact Mass346.12
IUPAC Name1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-2-pyridin-4-ylsulfanylethanone
SMILESO=C(CSc1ccncc1)N1CCOC(Cc2ccc(F)cc2)C1
InChIInChI=1S/C18H19FN2O2S/c19-15-3-1-14(2-4-15)11-16-12-21(9-10-23-16)18(22)13-24-17-5-7-20-8-6-17/h1-8,16H,9-13H2
InChIKeyXNXQEYWAOJINBJ-UHFFFAOYSA-N
XLogP2.78
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-2-pyridin-4-ylsulfanylethanone?
The IUPAC name of 1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-2-pyridin-4-ylsulfanylethanone (CID 45175161) is 1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-2-pyridin-4-ylsulfanylethanone.
What is the SMILES notation for 1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-2-pyridin-4-ylsulfanylethanone?
The canonical SMILES for 1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-2-pyridin-4-ylsulfanylethanone is O=C(CSc1ccncc1)N1CCOC(Cc2ccc(F)cc2)C1.
What is the InChIKey of 1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-2-pyridin-4-ylsulfanylethanone?
The InChIKey is XNXQEYWAOJINBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2S/c19-15-3-1-14(2-4-15)11-16-12-21(9-10-23-16)18(22)13-24-17-5-7-20-8-6-17/h1-8,16H,9-13H2.
What are the key properties of 1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-2-pyridin-4-ylsulfanylethanone?
1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-2-pyridin-4-ylsulfanylethanone has a molecular weight of 346.43 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-2-pyridin-4-ylsulfanylethanone is sourced from PubChem (CID 45175161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).