3-[2-(4-fluorophenoxy)ethyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione

C14H17FN2O5S — CID 17463231

IUPAC3-[2-(4-fluorophenoxy)ethyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione
SMILESCS(=O)(=O)CCC1NC(=O)N(CCOc2ccc(F)cc2)C1=O
InChIInChI=1S/C14H17FN2O5S/c1-23(20,21)9-6-12-13(18)17(14(19)16-12)7-8-22-11-4-2-10(15)3-5-11/h2-5,12H,6-9H2,1H3,(H,16,19)
InChIKeyUWTJLRRKNUVIAH-UHFFFAOYSA-N
MW344.36 g/mol
LogP0.56
Rot. Bonds7

About 3-[2-(4-fluorophenoxy)ethyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione

3-[2-(4-fluorophenoxy)ethyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione (PubChem CID 17463231) has the molecular formula C14H17FN2O5S and a molecular weight of 344.36 g/mol. Its IUPAC name is 3-[2-(4-fluorophenoxy)ethyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(4-fluorophenoxy)ethyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione
PubChem CID17463231
Molecular FormulaC14H17FN2O5S
Molecular Weight344.36 g/mol
Exact Mass344.08
IUPAC Name3-[2-(4-fluorophenoxy)ethyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione
SMILESCS(=O)(=O)CCC1NC(=O)N(CCOc2ccc(F)cc2)C1=O
InChIInChI=1S/C14H17FN2O5S/c1-23(20,21)9-6-12-13(18)17(14(19)16-12)7-8-22-11-4-2-10(15)3-5-11/h2-5,12H,6-9H2,1H3,(H,16,19)
InChIKeyUWTJLRRKNUVIAH-UHFFFAOYSA-N
XLogP0.56
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 50.56
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

N-(1,1-dioxothiolan-3-yl)-2-(2-fluorophenoxy)propanamide
CID 2935977
(5S)-5-[[4-(4-fluorophenoxy)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione
CID 59794423
3-[2-(4-Fluorophenoxy)ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 973435
N-Methyl-4-phenoxy-1-(propane-1-sulfonyl)pyrrolidine-2-carboxamide
CID 110196885
N-(2-Methoxyethyl)-4-phenoxy-1-(propane-1-sulfonyl)pyrrolidine-2-carboxamide
CID 110196925
(2S,4S)-N-methyl-4-phenoxy-1-propylsulfonylpyrrolidine-2-carboxamide
CID 110198322
(2S,4S)-1-ethylsulfonyl-N-methyl-4-phenoxypyrrolidine-2-carboxamide
CID 110198323
(2S,4S)-N-(2-methoxyethyl)-4-phenoxy-1-propylsulfonylpyrrolidine-2-carboxamide
CID 110198431
N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenoxy)propanamide
CID 4526022
1-[2-(2,4-Difluorophenoxy)ethyl]-3-(2-methylsulfonylethyl)urea
CID 72139471
5-[[4-(2-Fluorophenoxy)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione
CID 23133445
5-[[4-(4-Fluorophenoxy)piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione
CID 23133606

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenoxy)ethyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(4-fluorophenoxy)ethyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione (CID 17463231) is 3-[2-(4-fluorophenoxy)ethyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(4-fluorophenoxy)ethyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(4-fluorophenoxy)ethyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione is CS(=O)(=O)CCC1NC(=O)N(CCOc2ccc(F)cc2)C1=O.
What is the InChIKey of 3-[2-(4-fluorophenoxy)ethyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione?
The InChIKey is UWTJLRRKNUVIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O5S/c1-23(20,21)9-6-12-13(18)17(14(19)16-12)7-8-22-11-4-2-10(15)3-5-11/h2-5,12H,6-9H2,1H3,(H,16,19).
What are the key properties of 3-[2-(4-fluorophenoxy)ethyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione?
3-[2-(4-fluorophenoxy)ethyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione has a molecular weight of 344.36 g/mol, XLogP of 0.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenoxy)ethyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 17463231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).