1-[5-[2-[4-fluoro-3-(2-methylpropoxy)phenyl]-2-methylpropyl]sulfonylpentyl]imidazolidine-2,4-dione

C22H33FN2O5S — CID 147475355

IUPAC1-[5-[2-[4-fluoro-3-(2-methylpropoxy)phenyl]-2-methylpropyl]sulfonylpentyl]imidazolidine-2,4-dione
SMILESCC(C)COc1cc(C(C)(C)CS(=O)(=O)CCCCCN2CC(=O)NC2=O)ccc1F
InChIInChI=1S/C22H33FN2O5S/c1-16(2)14-30-19-12-17(8-9-18(19)23)22(3,4)15-31(28,29)11-7-5-6-10-25-13-20(26)24-21(25)27/h8-9,12,16H,5-7,10-11,13-15H2,1-4H3,(H,24,26,27)
InChIKeyFCOUFYOYTKIRNR-UHFFFAOYSA-N
MW456.58 g/mol
LogP3.28
Rot. Bonds12

About 1-[5-[2-[4-fluoro-3-(2-methylpropoxy)phenyl]-2-methylpropyl]sulfonylpentyl]imidazolidine-2,4-dione

1-[5-[2-[4-fluoro-3-(2-methylpropoxy)phenyl]-2-methylpropyl]sulfonylpentyl]imidazolidine-2,4-dione (PubChem CID 147475355) has the molecular formula C22H33FN2O5S and a molecular weight of 456.58 g/mol. Its IUPAC name is 1-[5-[2-[4-fluoro-3-(2-methylpropoxy)phenyl]-2-methylpropyl]sulfonylpentyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[5-[2-[4-fluoro-3-(2-methylpropoxy)phenyl]-2-methylpropyl]sulfonylpentyl]imidazolidine-2,4-dione
PubChem CID147475355
Molecular FormulaC22H33FN2O5S
Molecular Weight456.58 g/mol
Exact Mass456.21
IUPAC Name1-[5-[2-[4-fluoro-3-(2-methylpropoxy)phenyl]-2-methylpropyl]sulfonylpentyl]imidazolidine-2,4-dione
SMILESCC(C)COc1cc(C(C)(C)CS(=O)(=O)CCCCCN2CC(=O)NC2=O)ccc1F
InChIInChI=1S/C22H33FN2O5S/c1-16(2)14-30-19-12-17(8-9-18(19)23)22(3,4)15-31(28,29)11-7-5-6-10-25-13-20(26)24-21(25)27/h8-9,12,16H,5-7,10-11,13-15H2,1-4H3,(H,24,26,27)
InChIKeyFCOUFYOYTKIRNR-UHFFFAOYSA-N
XLogP3.28
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.58
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[4-fluoro-3-(2-methylpropoxy)phenyl]-2-methylpropyl]sulfonylpentyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[5-[2-[4-fluoro-3-(2-methylpropoxy)phenyl]-2-methylpropyl]sulfonylpentyl]imidazolidine-2,4-dione (CID 147475355) is 1-[5-[2-[4-fluoro-3-(2-methylpropoxy)phenyl]-2-methylpropyl]sulfonylpentyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[5-[2-[4-fluoro-3-(2-methylpropoxy)phenyl]-2-methylpropyl]sulfonylpentyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[5-[2-[4-fluoro-3-(2-methylpropoxy)phenyl]-2-methylpropyl]sulfonylpentyl]imidazolidine-2,4-dione is CC(C)COc1cc(C(C)(C)CS(=O)(=O)CCCCCN2CC(=O)NC2=O)ccc1F.
What is the InChIKey of 1-[5-[2-[4-fluoro-3-(2-methylpropoxy)phenyl]-2-methylpropyl]sulfonylpentyl]imidazolidine-2,4-dione?
The InChIKey is FCOUFYOYTKIRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33FN2O5S/c1-16(2)14-30-19-12-17(8-9-18(19)23)22(3,4)15-31(28,29)11-7-5-6-10-25-13-20(26)24-21(25)27/h8-9,12,16H,5-7,10-11,13-15H2,1-4H3,(H,24,26,27).
What are the key properties of 1-[5-[2-[4-fluoro-3-(2-methylpropoxy)phenyl]-2-methylpropyl]sulfonylpentyl]imidazolidine-2,4-dione?
1-[5-[2-[4-fluoro-3-(2-methylpropoxy)phenyl]-2-methylpropyl]sulfonylpentyl]imidazolidine-2,4-dione has a molecular weight of 456.58 g/mol, XLogP of 3.28, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-[4-fluoro-3-(2-methylpropoxy)phenyl]-2-methylpropyl]sulfonylpentyl]imidazolidine-2,4-dione is sourced from PubChem (CID 147475355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).