5-[3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione

C21H15F3N2O4S — CID 67176968

IUPAC5-[3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(c2occc2Sc2ccc(OCc3cccc(C(F)(F)F)c3)cc2)N1
InChIInChI=1S/C21H15F3N2O4S/c22-21(23,24)13-3-1-2-12(10-13)11-30-14-4-6-15(7-5-14)31-16-8-9-29-18(16)17-19(27)26-20(28)25-17/h1-10,17H,11H2,(H2,25,26,27,28)
InChIKeyDXZLSSFQUPNXRE-UHFFFAOYSA-N
MW448.42 g/mol
LogP4.91
Rot. Bonds6

About 5-[3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione

5-[3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione (PubChem CID 67176968) has the molecular formula C21H15F3N2O4S and a molecular weight of 448.42 g/mol. Its IUPAC name is 5-[3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione
PubChem CID67176968
Molecular FormulaC21H15F3N2O4S
Molecular Weight448.42 g/mol
Exact Mass448.07
IUPAC Name5-[3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(c2occc2Sc2ccc(OCc3cccc(C(F)(F)F)c3)cc2)N1
InChIInChI=1S/C21H15F3N2O4S/c22-21(23,24)13-3-1-2-12(10-13)11-30-14-4-6-15(7-5-14)31-16-8-9-29-18(16)17-19(27)26-20(28)25-17/h1-10,17H,11H2,(H2,25,26,27,28)
InChIKeyDXZLSSFQUPNXRE-UHFFFAOYSA-N
XLogP4.91
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.42
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[4-[(3-chlorophenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidine-2,5-dione
CID 160512892
5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-1-oxidopyridin-1-ium-3-yl]imidazolidine-2,4-dione
CID 176509444
5-[4-[4-[(3-methylphenyl)methoxy]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione
CID 146263059
1-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627887
5-[3-[4-[(2-methyl-4-pyridinyl)methylamino]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione
CID 146262379
3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]propan-1-amine;hydrochloride
CID 139814631
1-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 112788880
(2E)-2-[[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylidene]-1-azabicyclo[2.2.2]octan-3-one
CID 1474743
hydron;(2R)-2-[[4-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]methyl]pyrrolidine;chloride
CID 69001552
5-[4-[4-[(3-methylphenoxy)methyl]phenyl]sulfanyl-3-pyridinyl]imidazolidine-2,4-dione
CID 146263009
5-[1-methyl-5-[4-[(2-methyl-4-pyridinyl)methoxy]phenyl]sulfanylimidazol-4-yl]imidazolidine-2,4-dione
CID 146263030
N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]morpholine-3-carboxamide;hydrochloride
CID 119773679

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione?
The IUPAC name of 5-[3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione (CID 67176968) is 5-[3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione is O=C1NC(=O)C(c2occc2Sc2ccc(OCc3cccc(C(F)(F)F)c3)cc2)N1.
What is the InChIKey of 5-[3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione?
The InChIKey is DXZLSSFQUPNXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O4S/c22-21(23,24)13-3-1-2-12(10-13)11-30-14-4-6-15(7-5-14)31-16-8-9-29-18(16)17-19(27)26-20(28)25-17/h1-10,17H,11H2,(H2,25,26,27,28).
What are the key properties of 5-[3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione?
5-[3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione has a molecular weight of 448.42 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 67176968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).