1-[2-fluoro-4-[[4-[(5-methylsulfanylthiophen-2-yl)methyl]morpholin-2-yl]methoxy]phenyl]ethanone

C19H22FNO3S2 — CID 3771703

IUPAC1-[2-fluoro-4-[[4-[(5-methylsulfanylthiophen-2-yl)methyl]morpholin-2-yl]methoxy]phenyl]ethanone
SMILESCSc1ccc(CN2CCOC(COc3ccc(C(C)=O)c(F)c3)C2)s1
InChIInChI=1S/C19H22FNO3S2/c1-13(22)17-5-3-14(9-18(17)20)24-12-15-10-21(7-8-23-15)11-16-4-6-19(25-2)26-16/h3-6,9,15H,7-8,10-12H2,1-2H3
InChIKeyNHWJQZXQIYZUEH-UHFFFAOYSA-N
MW395.52 g/mol
LogP4.09
Rot. Bonds7

About 1-[2-fluoro-4-[[4-[(5-methylsulfanylthiophen-2-yl)methyl]morpholin-2-yl]methoxy]phenyl]ethanone

1-[2-fluoro-4-[[4-[(5-methylsulfanylthiophen-2-yl)methyl]morpholin-2-yl]methoxy]phenyl]ethanone (PubChem CID 3771703) has the molecular formula C19H22FNO3S2 and a molecular weight of 395.52 g/mol. Its IUPAC name is 1-[2-fluoro-4-[[4-[(5-methylsulfanylthiophen-2-yl)methyl]morpholin-2-yl]methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-fluoro-4-[[4-[(5-methylsulfanylthiophen-2-yl)methyl]morpholin-2-yl]methoxy]phenyl]ethanone
PubChem CID3771703
Molecular FormulaC19H22FNO3S2
Molecular Weight395.52 g/mol
Exact Mass395.10
IUPAC Name1-[2-fluoro-4-[[4-[(5-methylsulfanylthiophen-2-yl)methyl]morpholin-2-yl]methoxy]phenyl]ethanone
SMILESCSc1ccc(CN2CCOC(COc3ccc(C(C)=O)c(F)c3)C2)s1
InChIInChI=1S/C19H22FNO3S2/c1-13(22)17-5-3-14(9-18(17)20)24-12-15-10-21(7-8-23-15)11-16-4-6-19(25-2)26-16/h3-6,9,15H,7-8,10-12H2,1-2H3
InChIKeyNHWJQZXQIYZUEH-UHFFFAOYSA-N
XLogP4.09
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.52
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-[[4-[(5-methylsulfanylthiophen-2-yl)methyl]morpholin-2-yl]methoxy]phenyl]ethanone?
The IUPAC name of 1-[2-fluoro-4-[[4-[(5-methylsulfanylthiophen-2-yl)methyl]morpholin-2-yl]methoxy]phenyl]ethanone (CID 3771703) is 1-[2-fluoro-4-[[4-[(5-methylsulfanylthiophen-2-yl)methyl]morpholin-2-yl]methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-fluoro-4-[[4-[(5-methylsulfanylthiophen-2-yl)methyl]morpholin-2-yl]methoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-fluoro-4-[[4-[(5-methylsulfanylthiophen-2-yl)methyl]morpholin-2-yl]methoxy]phenyl]ethanone is CSc1ccc(CN2CCOC(COc3ccc(C(C)=O)c(F)c3)C2)s1.
What is the InChIKey of 1-[2-fluoro-4-[[4-[(5-methylsulfanylthiophen-2-yl)methyl]morpholin-2-yl]methoxy]phenyl]ethanone?
The InChIKey is NHWJQZXQIYZUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3S2/c1-13(22)17-5-3-14(9-18(17)20)24-12-15-10-21(7-8-23-15)11-16-4-6-19(25-2)26-16/h3-6,9,15H,7-8,10-12H2,1-2H3.
What are the key properties of 1-[2-fluoro-4-[[4-[(5-methylsulfanylthiophen-2-yl)methyl]morpholin-2-yl]methoxy]phenyl]ethanone?
1-[2-fluoro-4-[[4-[(5-methylsulfanylthiophen-2-yl)methyl]morpholin-2-yl]methoxy]phenyl]ethanone has a molecular weight of 395.52 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-[[4-[(5-methylsulfanylthiophen-2-yl)methyl]morpholin-2-yl]methoxy]phenyl]ethanone is sourced from PubChem (CID 3771703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).