5-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-3-fluoro-1-methylpyridin-2-one

C18H20FNO4S — CID 118023112

IUPAC5-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-3-fluoro-1-methylpyridin-2-one
SMILESCCS(=O)(=O)c1ccc(OCC2CC2)c(-c2cc(F)c(=O)n(C)c2)c1
InChIInChI=1S/C18H20FNO4S/c1-3-25(22,23)14-6-7-17(24-11-12-4-5-12)15(9-14)13-8-16(19)18(21)20(2)10-13/h6-10,12H,3-5,11H2,1-2H3
InChIKeyVPYJPZUSIYDHNH-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.77
Rot. Bonds6

About 5-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-3-fluoro-1-methylpyridin-2-one

5-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-3-fluoro-1-methylpyridin-2-one (PubChem CID 118023112) has the molecular formula C18H20FNO4S and a molecular weight of 365.43 g/mol. Its IUPAC name is 5-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-3-fluoro-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-3-fluoro-1-methylpyridin-2-one
PubChem CID118023112
Molecular FormulaC18H20FNO4S
Molecular Weight365.43 g/mol
Exact Mass365.11
IUPAC Name5-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-3-fluoro-1-methylpyridin-2-one
SMILESCCS(=O)(=O)c1ccc(OCC2CC2)c(-c2cc(F)c(=O)n(C)c2)c1
InChIInChI=1S/C18H20FNO4S/c1-3-25(22,23)14-6-7-17(24-11-12-4-5-12)15(9-14)13-8-16(19)18(21)20(2)10-13/h6-10,12H,3-5,11H2,1-2H3
InChIKeyVPYJPZUSIYDHNH-UHFFFAOYSA-N
XLogP2.77
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-3-fluoro-1-methylpyridin-2-one?
The IUPAC name of 5-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-3-fluoro-1-methylpyridin-2-one (CID 118023112) is 5-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-3-fluoro-1-methylpyridin-2-one.
What is the SMILES notation for 5-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-3-fluoro-1-methylpyridin-2-one?
The canonical SMILES for 5-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-3-fluoro-1-methylpyridin-2-one is CCS(=O)(=O)c1ccc(OCC2CC2)c(-c2cc(F)c(=O)n(C)c2)c1.
What is the InChIKey of 5-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-3-fluoro-1-methylpyridin-2-one?
The InChIKey is VPYJPZUSIYDHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO4S/c1-3-25(22,23)14-6-7-17(24-11-12-4-5-12)15(9-14)13-8-16(19)18(21)20(2)10-13/h6-10,12H,3-5,11H2,1-2H3.
What are the key properties of 5-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-3-fluoro-1-methylpyridin-2-one?
5-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-3-fluoro-1-methylpyridin-2-one has a molecular weight of 365.43 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclopropylmethoxy)-5-ethylsulfonylphenyl]-3-fluoro-1-methylpyridin-2-one is sourced from PubChem (CID 118023112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).