1-[2-[2-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylethyl]tetrazol-5-yl]imidazolidine-2,4-dione

C19H23FN6O5S — CID 148909267

IUPAC1-[2-[2-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylethyl]tetrazol-5-yl]imidazolidine-2,4-dione
SMILESC[C@@H](CS(=O)(=O)CCn1nnc(N2CC(=O)NC2=O)n1)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C19H23FN6O5S/c1-12(14-4-5-15(20)16(8-14)31-10-13-2-3-13)11-32(29,30)7-6-26-23-18(22-24-26)25-9-17(27)21-19(25)28/h4-5,8,12-13H,2-3,6-7,9-11H2,1H3,(H,21,27,28)/t12-/m0/s1
InChIKeyPIHORNPIWCZVSQ-LBPRGKRZSA-N
MW466.50 g/mol
LogP0.88
Rot. Bonds10

About 1-[2-[2-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylethyl]tetrazol-5-yl]imidazolidine-2,4-dione

1-[2-[2-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylethyl]tetrazol-5-yl]imidazolidine-2,4-dione (PubChem CID 148909267) has the molecular formula C19H23FN6O5S and a molecular weight of 466.50 g/mol. Its IUPAC name is 1-[2-[2-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylethyl]tetrazol-5-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[2-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylethyl]tetrazol-5-yl]imidazolidine-2,4-dione
PubChem CID148909267
Molecular FormulaC19H23FN6O5S
Molecular Weight466.50 g/mol
Exact Mass466.14
IUPAC Name1-[2-[2-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylethyl]tetrazol-5-yl]imidazolidine-2,4-dione
SMILESC[C@@H](CS(=O)(=O)CCn1nnc(N2CC(=O)NC2=O)n1)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C19H23FN6O5S/c1-12(14-4-5-15(20)16(8-14)31-10-13-2-3-13)11-32(29,30)7-6-26-23-18(22-24-26)25-9-17(27)21-19(25)28/h4-5,8,12-13H,2-3,6-7,9-11H2,1H3,(H,21,27,28)/t12-/m0/s1
InChIKeyPIHORNPIWCZVSQ-LBPRGKRZSA-N
XLogP0.88
TPSA136.38 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.50
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

1-[5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpentyl]imidazolidine-2,4,5-trione
CID 146741581
1-[5-[2-[3-(Cyclopropylmethoxy)-4-fluorophenyl]-3,3-dimethylbutyl]sulfonylpentyl]imidazolidine-2,4-dione
CID 146861116
3-[5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione
CID 146872311
1-[(E)-5-[2-[4-fluoro-3-(2-methylpropoxy)phenyl]-2-methylpropyl]sulfonylpent-2-enyl]imidazolidine-2,4-dione
CID 147111451
1-[5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-3-methylbutyl]sulfonylpentyl]imidazolidine-2,4-dione
CID 147150908
1-[5-[2-[3-(Cyclopropylmethoxy)-4-fluorophenyl]-3-methylbutyl]sulfonylpentyl]imidazolidine-2,4-dione
CID 147150909
1-[5-[(2R)-2-[5-(cyclopropylmethoxy)-2-fluorophenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione
CID 147151917
1-[5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione
CID 147172010
1-[5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-(1-methylpyrrolidin-3-yl)ethyl]sulfonylpentyl]imidazolidine-2,4-dione
CID 147362167
1-[[(E)-3-[(2R)-2-[4-fluoro-3-(2-methylpropoxy)phenyl]propyl]sulfonylprop-2-enoxy]methyl]imidazolidine-2,4-dione
CID 147453172
1-[(E)-5-[(2R)-2-[3-(cyclopentylmethoxy)-4-fluorophenyl]propyl]sulfonylpent-2-enyl]imidazolidine-2,4-dione
CID 147625766
1-[3-[(2R)-2-(3-cyclopentyloxy-4-fluorophenyl)propyl]sulfonylpropoxymethyl]imidazolidine-2,4-dione
CID 147806948

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylethyl]tetrazol-5-yl]imidazolidine-2,4-dione?
The IUPAC name of 1-[2-[2-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylethyl]tetrazol-5-yl]imidazolidine-2,4-dione (CID 148909267) is 1-[2-[2-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylethyl]tetrazol-5-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[2-[2-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylethyl]tetrazol-5-yl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[2-[2-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylethyl]tetrazol-5-yl]imidazolidine-2,4-dione is C[C@@H](CS(=O)(=O)CCn1nnc(N2CC(=O)NC2=O)n1)c1ccc(F)c(OCC2CC2)c1.
What is the InChIKey of 1-[2-[2-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylethyl]tetrazol-5-yl]imidazolidine-2,4-dione?
The InChIKey is PIHORNPIWCZVSQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H23FN6O5S/c1-12(14-4-5-15(20)16(8-14)31-10-13-2-3-13)11-32(29,30)7-6-26-23-18(22-24-26)25-9-17(27)21-19(25)28/h4-5,8,12-13H,2-3,6-7,9-11H2,1H3,(H,21,27,28)/t12-/m0/s1.
What are the key properties of 1-[2-[2-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylethyl]tetrazol-5-yl]imidazolidine-2,4-dione?
1-[2-[2-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylethyl]tetrazol-5-yl]imidazolidine-2,4-dione has a molecular weight of 466.50 g/mol, XLogP of 0.88, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylethyl]tetrazol-5-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 148909267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).