1-[2-(4-fluorophenyl)morpholin-4-yl]-2-[(2-methylphenyl)methylsulfanyl]ethanone

C20H22FNO2S — CID 78900201

IUPAC1-[2-(4-fluorophenyl)morpholin-4-yl]-2-[(2-methylphenyl)methylsulfanyl]ethanone
SMILESCc1ccccc1CSCC(=O)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C20H22FNO2S/c1-15-4-2-3-5-17(15)13-25-14-20(23)22-10-11-24-19(12-22)16-6-8-18(21)9-7-16/h2-9,19H,10-14H2,1H3
InChIKeyVRQVJHQLTBYPKO-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.97
Rot. Bonds5

About 1-[2-(4-fluorophenyl)morpholin-4-yl]-2-[(2-methylphenyl)methylsulfanyl]ethanone

1-[2-(4-fluorophenyl)morpholin-4-yl]-2-[(2-methylphenyl)methylsulfanyl]ethanone (PubChem CID 78900201) has the molecular formula C20H22FNO2S and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)morpholin-4-yl]-2-[(2-methylphenyl)methylsulfanyl]ethanone.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)morpholin-4-yl]-2-[(2-methylphenyl)methylsulfanyl]ethanone
PubChem CID78900201
Molecular FormulaC20H22FNO2S
Molecular Weight359.47 g/mol
Exact Mass359.14
IUPAC Name1-[2-(4-fluorophenyl)morpholin-4-yl]-2-[(2-methylphenyl)methylsulfanyl]ethanone
SMILESCc1ccccc1CSCC(=O)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C20H22FNO2S/c1-15-4-2-3-5-17(15)13-25-14-20(23)22-10-11-24-19(12-22)16-6-8-18(21)9-7-16/h2-9,19H,10-14H2,1H3
InChIKeyVRQVJHQLTBYPKO-UHFFFAOYSA-N
XLogP3.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)morpholin-4-yl]-2-[(2-methylphenyl)methylsulfanyl]ethanone?
The IUPAC name of 1-[2-(4-fluorophenyl)morpholin-4-yl]-2-[(2-methylphenyl)methylsulfanyl]ethanone (CID 78900201) is 1-[2-(4-fluorophenyl)morpholin-4-yl]-2-[(2-methylphenyl)methylsulfanyl]ethanone.
What is the SMILES notation for 1-[2-(4-fluorophenyl)morpholin-4-yl]-2-[(2-methylphenyl)methylsulfanyl]ethanone?
The canonical SMILES for 1-[2-(4-fluorophenyl)morpholin-4-yl]-2-[(2-methylphenyl)methylsulfanyl]ethanone is Cc1ccccc1CSCC(=O)N1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of 1-[2-(4-fluorophenyl)morpholin-4-yl]-2-[(2-methylphenyl)methylsulfanyl]ethanone?
The InChIKey is VRQVJHQLTBYPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO2S/c1-15-4-2-3-5-17(15)13-25-14-20(23)22-10-11-24-19(12-22)16-6-8-18(21)9-7-16/h2-9,19H,10-14H2,1H3.
What are the key properties of 1-[2-(4-fluorophenyl)morpholin-4-yl]-2-[(2-methylphenyl)methylsulfanyl]ethanone?
1-[2-(4-fluorophenyl)morpholin-4-yl]-2-[(2-methylphenyl)methylsulfanyl]ethanone has a molecular weight of 359.47 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)morpholin-4-yl]-2-[(2-methylphenyl)methylsulfanyl]ethanone is sourced from PubChem (CID 78900201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).