3-[2-(2,6-dimethylphenoxy)ethyl]-5-methyl-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione

C21H24N2O5S — CID 51117079

IUPAC3-[2-(2,6-dimethylphenoxy)ethyl]-5-methyl-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione
SMILESCc1cccc(C)c1OCCN1C(=O)NC(C)(c2ccc(S(C)(=O)=O)cc2)C1=O
InChIInChI=1S/C21H24N2O5S/c1-14-6-5-7-15(2)18(14)28-13-12-23-19(24)21(3,22-20(23)25)16-8-10-17(11-9-16)29(4,26)27/h5-11H,12-13H2,1-4H3,(H,22,25)
InChIKeyWWEPYBDONFIAGJ-UHFFFAOYSA-N
MW416.50 g/mol
LogP2.55
Rot. Bonds6

About 3-[2-(2,6-dimethylphenoxy)ethyl]-5-methyl-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione

3-[2-(2,6-dimethylphenoxy)ethyl]-5-methyl-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione (PubChem CID 51117079) has the molecular formula C21H24N2O5S and a molecular weight of 416.50 g/mol. Its IUPAC name is 3-[2-(2,6-dimethylphenoxy)ethyl]-5-methyl-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(2,6-dimethylphenoxy)ethyl]-5-methyl-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione
PubChem CID51117079
Molecular FormulaC21H24N2O5S
Molecular Weight416.50 g/mol
Exact Mass416.14
IUPAC Name3-[2-(2,6-dimethylphenoxy)ethyl]-5-methyl-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione
SMILESCc1cccc(C)c1OCCN1C(=O)NC(C)(c2ccc(S(C)(=O)=O)cc2)C1=O
InChIInChI=1S/C21H24N2O5S/c1-14-6-5-7-15(2)18(14)28-13-12-23-19(24)21(3,22-20(23)25)16-8-10-17(11-9-16)29(4,26)27/h5-11H,12-13H2,1-4H3,(H,22,25)
InChIKeyWWEPYBDONFIAGJ-UHFFFAOYSA-N
XLogP2.55
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(4-fluorophenoxy)ethyl]-5-methyl-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione
CID 56684439
5-methyl-3-[4-(2-methylimidazol-1-yl)butyl]-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione
CID 75431270
3-[2-(2,6-dichlorophenoxy)ethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 4826856
(5R)-3-[2-(2,6-dichlorophenoxy)ethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 7596048
(5S)-5-methyl-3-[2-(3-methylphenoxy)ethyl]-5-phenylimidazolidine-2,4-dione
CID 2579943
(5S)-3-[2-(3-bromophenoxy)ethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 7178203
5-(4-chlorophenyl)-5-methyl-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 4671924
(5R)-3-[2-(3-bromophenoxy)ethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7171073
5-(1,3-benzodioxol-5-yl)-5-methyl-3-[2-(2-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 42976785
3'-[2-(2,6-dimethylphenoxy)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 17462485
(5R)-5-methyl-3-[2-(4-methylphenoxy)ethyl]-5-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione
CID 52517969
4-[(4S)-4-methyl-1-(2-methylsulfonylethyl)-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 94180306

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,6-dimethylphenoxy)ethyl]-5-methyl-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(2,6-dimethylphenoxy)ethyl]-5-methyl-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione (CID 51117079) is 3-[2-(2,6-dimethylphenoxy)ethyl]-5-methyl-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(2,6-dimethylphenoxy)ethyl]-5-methyl-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(2,6-dimethylphenoxy)ethyl]-5-methyl-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione is Cc1cccc(C)c1OCCN1C(=O)NC(C)(c2ccc(S(C)(=O)=O)cc2)C1=O.
What is the InChIKey of 3-[2-(2,6-dimethylphenoxy)ethyl]-5-methyl-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione?
The InChIKey is WWEPYBDONFIAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5S/c1-14-6-5-7-15(2)18(14)28-13-12-23-19(24)21(3,22-20(23)25)16-8-10-17(11-9-16)29(4,26)27/h5-11H,12-13H2,1-4H3,(H,22,25).
What are the key properties of 3-[2-(2,6-dimethylphenoxy)ethyl]-5-methyl-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione?
3-[2-(2,6-dimethylphenoxy)ethyl]-5-methyl-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione has a molecular weight of 416.50 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,6-dimethylphenoxy)ethyl]-5-methyl-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 51117079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).