1-[5-fluoro-2-[methyl(1-methylsulfanylbutan-2-yl)amino]phenyl]ethanone

C14H20FNOS — CID 112660456

IUPAC1-[5-fluoro-2-[methyl(1-methylsulfanylbutan-2-yl)amino]phenyl]ethanone
SMILESCCC(CSC)N(C)c1ccc(F)cc1C(C)=O
InChIInChI=1S/C14H20FNOS/c1-5-12(9-18-4)16(3)14-7-6-11(15)8-13(14)10(2)17/h6-8,12H,5,9H2,1-4H3
InChIKeyWVUWOKLKTFJXKA-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.61
Rot. Bonds6

About 1-[5-fluoro-2-[methyl(1-methylsulfanylbutan-2-yl)amino]phenyl]ethanone

1-[5-fluoro-2-[methyl(1-methylsulfanylbutan-2-yl)amino]phenyl]ethanone (PubChem CID 112660456) has the molecular formula C14H20FNOS and a molecular weight of 269.38 g/mol. Its IUPAC name is 1-[5-fluoro-2-[methyl(1-methylsulfanylbutan-2-yl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[5-fluoro-2-[methyl(1-methylsulfanylbutan-2-yl)amino]phenyl]ethanone
PubChem CID112660456
Molecular FormulaC14H20FNOS
Molecular Weight269.38 g/mol
Exact Mass269.12
IUPAC Name1-[5-fluoro-2-[methyl(1-methylsulfanylbutan-2-yl)amino]phenyl]ethanone
SMILESCCC(CSC)N(C)c1ccc(F)cc1C(C)=O
InChIInChI=1S/C14H20FNOS/c1-5-12(9-18-4)16(3)14-7-6-11(15)8-13(14)10(2)17/h6-8,12H,5,9H2,1-4H3
InChIKeyWVUWOKLKTFJXKA-UHFFFAOYSA-N
XLogP3.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-[methyl(1-methylsulfanylbutan-2-yl)amino]phenyl]ethanone?
The IUPAC name of 1-[5-fluoro-2-[methyl(1-methylsulfanylbutan-2-yl)amino]phenyl]ethanone (CID 112660456) is 1-[5-fluoro-2-[methyl(1-methylsulfanylbutan-2-yl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[5-fluoro-2-[methyl(1-methylsulfanylbutan-2-yl)amino]phenyl]ethanone?
The canonical SMILES for 1-[5-fluoro-2-[methyl(1-methylsulfanylbutan-2-yl)amino]phenyl]ethanone is CCC(CSC)N(C)c1ccc(F)cc1C(C)=O.
What is the InChIKey of 1-[5-fluoro-2-[methyl(1-methylsulfanylbutan-2-yl)amino]phenyl]ethanone?
The InChIKey is WVUWOKLKTFJXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNOS/c1-5-12(9-18-4)16(3)14-7-6-11(15)8-13(14)10(2)17/h6-8,12H,5,9H2,1-4H3.
What are the key properties of 1-[5-fluoro-2-[methyl(1-methylsulfanylbutan-2-yl)amino]phenyl]ethanone?
1-[5-fluoro-2-[methyl(1-methylsulfanylbutan-2-yl)amino]phenyl]ethanone has a molecular weight of 269.38 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-[methyl(1-methylsulfanylbutan-2-yl)amino]phenyl]ethanone is sourced from PubChem (CID 112660456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).