3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-[4-(methylsulfonylmethyl)phenyl]imidazolidine-2,4-dione

C20H18F2N2O5S — CID 155525433

IUPAC3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-[4-(methylsulfonylmethyl)phenyl]imidazolidine-2,4-dione
SMILESCC1(c2ccc(CS(C)(=O)=O)cc2)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O
InChIInChI=1S/C20H18F2N2O5S/c1-20(13-5-3-12(4-6-13)11-30(2,28)29)18(26)24(19(27)23-20)10-17(25)15-8-7-14(21)9-16(15)22/h3-9H,10-11H2,1-2H3,(H,23,27)
InChIKeyFNOLSCDKJXPVEM-UHFFFAOYSA-N
MW436.44 g/mol
LogP2.16
Rot. Bonds6

About 3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-[4-(methylsulfonylmethyl)phenyl]imidazolidine-2,4-dione

3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-[4-(methylsulfonylmethyl)phenyl]imidazolidine-2,4-dione (PubChem CID 155525433) has the molecular formula C20H18F2N2O5S and a molecular weight of 436.44 g/mol. Its IUPAC name is 3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-[4-(methylsulfonylmethyl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-[4-(methylsulfonylmethyl)phenyl]imidazolidine-2,4-dione
PubChem CID155525433
Molecular FormulaC20H18F2N2O5S
Molecular Weight436.44 g/mol
Exact Mass436.09
IUPAC Name3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-[4-(methylsulfonylmethyl)phenyl]imidazolidine-2,4-dione
SMILESCC1(c2ccc(CS(C)(=O)=O)cc2)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O
InChIInChI=1S/C20H18F2N2O5S/c1-20(13-5-3-12(4-6-13)11-30(2,28)29)18(26)24(19(27)23-20)10-17(25)15-8-7-14(21)9-16(15)22/h3-9H,10-11H2,1-2H3,(H,23,27)
InChIKeyFNOLSCDKJXPVEM-UHFFFAOYSA-N
XLogP2.16
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.44
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-[4-(methylsulfonylmethyl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-[4-(methylsulfonylmethyl)phenyl]imidazolidine-2,4-dione (CID 155525433) is 3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-[4-(methylsulfonylmethyl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-[4-(methylsulfonylmethyl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-[4-(methylsulfonylmethyl)phenyl]imidazolidine-2,4-dione is CC1(c2ccc(CS(C)(=O)=O)cc2)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O.
What is the InChIKey of 3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-[4-(methylsulfonylmethyl)phenyl]imidazolidine-2,4-dione?
The InChIKey is FNOLSCDKJXPVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O5S/c1-20(13-5-3-12(4-6-13)11-30(2,28)29)18(26)24(19(27)23-20)10-17(25)15-8-7-14(21)9-16(15)22/h3-9H,10-11H2,1-2H3,(H,23,27).
What are the key properties of 3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-[4-(methylsulfonylmethyl)phenyl]imidazolidine-2,4-dione?
3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-[4-(methylsulfonylmethyl)phenyl]imidazolidine-2,4-dione has a molecular weight of 436.44 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-[4-(methylsulfonylmethyl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 155525433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).