5-[2-(ethenylsulfonylmethyl)-6-[(4-fluorophenyl)methyl]phenyl]-3-ethyl-1-methylpyridin-2-one

C24H24FNO3S — CID 161266314

IUPAC5-[2-(ethenylsulfonylmethyl)-6-[(4-fluorophenyl)methyl]phenyl]-3-ethyl-1-methylpyridin-2-one
SMILESC=CS(=O)(=O)Cc1cccc(Cc2ccc(F)cc2)c1-c1cc(CC)c(=O)n(C)c1
InChIInChI=1S/C24H24FNO3S/c1-4-18-14-21(15-26(3)24(18)27)23-19(13-17-9-11-22(25)12-10-17)7-6-8-20(23)16-30(28,29)5-2/h5-12,14-15H,2,4,13,16H2,1,3H3
InChIKeyVDFRXSWBARETCZ-UHFFFAOYSA-N
MW425.53 g/mol
LogP4.40
Rot. Bonds7

About 5-[2-(ethenylsulfonylmethyl)-6-[(4-fluorophenyl)methyl]phenyl]-3-ethyl-1-methylpyridin-2-one

5-[2-(ethenylsulfonylmethyl)-6-[(4-fluorophenyl)methyl]phenyl]-3-ethyl-1-methylpyridin-2-one (PubChem CID 161266314) has the molecular formula C24H24FNO3S and a molecular weight of 425.53 g/mol. Its IUPAC name is 5-[2-(ethenylsulfonylmethyl)-6-[(4-fluorophenyl)methyl]phenyl]-3-ethyl-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[2-(ethenylsulfonylmethyl)-6-[(4-fluorophenyl)methyl]phenyl]-3-ethyl-1-methylpyridin-2-one
PubChem CID161266314
Molecular FormulaC24H24FNO3S
Molecular Weight425.53 g/mol
Exact Mass425.15
IUPAC Name5-[2-(ethenylsulfonylmethyl)-6-[(4-fluorophenyl)methyl]phenyl]-3-ethyl-1-methylpyridin-2-one
SMILESC=CS(=O)(=O)Cc1cccc(Cc2ccc(F)cc2)c1-c1cc(CC)c(=O)n(C)c1
InChIInChI=1S/C24H24FNO3S/c1-4-18-14-21(15-26(3)24(18)27)23-19(13-17-9-11-22(25)12-10-17)7-6-8-20(23)16-30(28,29)5-2/h5-12,14-15H,2,4,13,16H2,1,3H3
InChIKeyVDFRXSWBARETCZ-UHFFFAOYSA-N
XLogP4.40
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(ethenylsulfonylmethyl)-6-[(4-fluorophenyl)methyl]phenyl]-3-ethyl-1-methylpyridin-2-one?
The IUPAC name of 5-[2-(ethenylsulfonylmethyl)-6-[(4-fluorophenyl)methyl]phenyl]-3-ethyl-1-methylpyridin-2-one (CID 161266314) is 5-[2-(ethenylsulfonylmethyl)-6-[(4-fluorophenyl)methyl]phenyl]-3-ethyl-1-methylpyridin-2-one.
What is the SMILES notation for 5-[2-(ethenylsulfonylmethyl)-6-[(4-fluorophenyl)methyl]phenyl]-3-ethyl-1-methylpyridin-2-one?
The canonical SMILES for 5-[2-(ethenylsulfonylmethyl)-6-[(4-fluorophenyl)methyl]phenyl]-3-ethyl-1-methylpyridin-2-one is C=CS(=O)(=O)Cc1cccc(Cc2ccc(F)cc2)c1-c1cc(CC)c(=O)n(C)c1.
What is the InChIKey of 5-[2-(ethenylsulfonylmethyl)-6-[(4-fluorophenyl)methyl]phenyl]-3-ethyl-1-methylpyridin-2-one?
The InChIKey is VDFRXSWBARETCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FNO3S/c1-4-18-14-21(15-26(3)24(18)27)23-19(13-17-9-11-22(25)12-10-17)7-6-8-20(23)16-30(28,29)5-2/h5-12,14-15H,2,4,13,16H2,1,3H3.
What are the key properties of 5-[2-(ethenylsulfonylmethyl)-6-[(4-fluorophenyl)methyl]phenyl]-3-ethyl-1-methylpyridin-2-one?
5-[2-(ethenylsulfonylmethyl)-6-[(4-fluorophenyl)methyl]phenyl]-3-ethyl-1-methylpyridin-2-one has a molecular weight of 425.53 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(ethenylsulfonylmethyl)-6-[(4-fluorophenyl)methyl]phenyl]-3-ethyl-1-methylpyridin-2-one is sourced from PubChem (CID 161266314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).