5-ethyl-3-(3-fluorophenoxy)-5-methyl-4-(3-methylsulfonylphenyl)furan-2-one

C20H19FO5S — CID 22114250

IUPAC5-ethyl-3-(3-fluorophenoxy)-5-methyl-4-(3-methylsulfonylphenyl)furan-2-one
SMILESCCC1(C)OC(=O)C(Oc2cccc(F)c2)=C1c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C20H19FO5S/c1-4-20(2)17(13-7-5-10-16(11-13)27(3,23)24)18(19(22)26-20)25-15-9-6-8-14(21)12-15/h5-12H,4H2,1-3H3
InChIKeyUZFNSUZGODAOIT-UHFFFAOYSA-N
MW390.43 g/mol
LogP3.74
Rot. Bonds5

About 5-ethyl-3-(3-fluorophenoxy)-5-methyl-4-(3-methylsulfonylphenyl)furan-2-one

5-ethyl-3-(3-fluorophenoxy)-5-methyl-4-(3-methylsulfonylphenyl)furan-2-one (PubChem CID 22114250) has the molecular formula C20H19FO5S and a molecular weight of 390.43 g/mol. Its IUPAC name is 5-ethyl-3-(3-fluorophenoxy)-5-methyl-4-(3-methylsulfonylphenyl)furan-2-one.

Molecular Properties

Compound Name5-ethyl-3-(3-fluorophenoxy)-5-methyl-4-(3-methylsulfonylphenyl)furan-2-one
PubChem CID22114250
Molecular FormulaC20H19FO5S
Molecular Weight390.43 g/mol
Exact Mass390.09
IUPAC Name5-ethyl-3-(3-fluorophenoxy)-5-methyl-4-(3-methylsulfonylphenyl)furan-2-one
SMILESCCC1(C)OC(=O)C(Oc2cccc(F)c2)=C1c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C20H19FO5S/c1-4-20(2)17(13-7-5-10-16(11-13)27(3,23)24)18(19(22)26-20)25-15-9-6-8-14(21)12-15/h5-12H,4H2,1-3H3
InChIKeyUZFNSUZGODAOIT-UHFFFAOYSA-N
XLogP3.74
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-3-(3-fluorophenoxy)-5-methyl-4-(3-methylsulfonylphenyl)furan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-fluoro-3-[2-(3-methylsulfonylphenoxy)ethoxy]benzene
CID 52619425
3-(3,4-difluorophenyl)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)furan-2-one
CID 16666105
4-fluoro-2-(3-methylsulfonylphenoxy)aniline
CID 62375952
3-[(6-butan-2-yl-5-fluoro-3-pyridinyl)oxy]-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one
CID 54405650
3-(3-methylsulfonylphenoxy)benzenethiol
CID 155585061
ethyl 3-fluorobenzenesulfonate
CID 15066297
1-(fluoromethoxy)-3-methylsulfonylbenzene
CID 68604841
1,2-difluoro-4-(3-methylsulfonylphenyl)benzene
CID 57118843
4-[4-(3-fluorophenyl)phenyl]-2,2-dimethyl-5-(4-methylsulfonylphenyl)furan-3-one
CID 18386002
1-[5-fluoro-2-(3-methylsulfonylphenoxy)phenyl]ethanamine
CID 43807090
4-fluoro-1-(3-methylsulfonylphenoxy)-2-nitrobenzene
CID 60504667
5-fluoro-2-(3-methylsulfonylphenoxy)benzenecarbothioamide
CID 63675113

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(3-fluorophenoxy)-5-methyl-4-(3-methylsulfonylphenyl)furan-2-one?
The IUPAC name of 5-ethyl-3-(3-fluorophenoxy)-5-methyl-4-(3-methylsulfonylphenyl)furan-2-one (CID 22114250) is 5-ethyl-3-(3-fluorophenoxy)-5-methyl-4-(3-methylsulfonylphenyl)furan-2-one.
What is the SMILES notation for 5-ethyl-3-(3-fluorophenoxy)-5-methyl-4-(3-methylsulfonylphenyl)furan-2-one?
The canonical SMILES for 5-ethyl-3-(3-fluorophenoxy)-5-methyl-4-(3-methylsulfonylphenyl)furan-2-one is CCC1(C)OC(=O)C(Oc2cccc(F)c2)=C1c1cccc(S(C)(=O)=O)c1.
What is the InChIKey of 5-ethyl-3-(3-fluorophenoxy)-5-methyl-4-(3-methylsulfonylphenyl)furan-2-one?
The InChIKey is UZFNSUZGODAOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FO5S/c1-4-20(2)17(13-7-5-10-16(11-13)27(3,23)24)18(19(22)26-20)25-15-9-6-8-14(21)12-15/h5-12H,4H2,1-3H3.
What are the key properties of 5-ethyl-3-(3-fluorophenoxy)-5-methyl-4-(3-methylsulfonylphenyl)furan-2-one?
5-ethyl-3-(3-fluorophenoxy)-5-methyl-4-(3-methylsulfonylphenyl)furan-2-one has a molecular weight of 390.43 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(3-fluorophenoxy)-5-methyl-4-(3-methylsulfonylphenyl)furan-2-one is sourced from PubChem (CID 22114250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).