1-[(E)-5-[(2R)-2-[3-(cyclopentylmethoxy)-4-fluorophenyl]propyl]sulfonylpent-2-enyl]imidazolidine-2,4-dione

C23H31FN2O5S — CID 147625766

IUPAC1-[(E)-5-[(2R)-2-[3-(cyclopentylmethoxy)-4-fluorophenyl]propyl]sulfonylpent-2-enyl]imidazolidine-2,4-dione
SMILESC[C@@H](CS(=O)(=O)CC/C=C/CN1CC(=O)NC1=O)c1ccc(F)c(OCC2CCCC2)c1
InChIInChI=1S/C23H31FN2O5S/c1-17(19-9-10-20(24)21(13-19)31-15-18-7-3-4-8-18)16-32(29,30)12-6-2-5-11-26-14-22(27)25-23(26)28/h2,5,9-10,13,17-18H,3-4,6-8,11-12,14-16H2,1H3,(H,25,27,28)/b5-2+/t17-/m0/s1
InChIKeyGESZVLXNEJSEMF-RTZWDOBSSA-N
MW466.58 g/mol
LogP3.41
Rot. Bonds11

About 1-[(E)-5-[(2R)-2-[3-(cyclopentylmethoxy)-4-fluorophenyl]propyl]sulfonylpent-2-enyl]imidazolidine-2,4-dione

1-[(E)-5-[(2R)-2-[3-(cyclopentylmethoxy)-4-fluorophenyl]propyl]sulfonylpent-2-enyl]imidazolidine-2,4-dione (PubChem CID 147625766) has the molecular formula C23H31FN2O5S and a molecular weight of 466.58 g/mol. Its IUPAC name is 1-[(E)-5-[(2R)-2-[3-(cyclopentylmethoxy)-4-fluorophenyl]propyl]sulfonylpent-2-enyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(E)-5-[(2R)-2-[3-(cyclopentylmethoxy)-4-fluorophenyl]propyl]sulfonylpent-2-enyl]imidazolidine-2,4-dione
PubChem CID147625766
Molecular FormulaC23H31FN2O5S
Molecular Weight466.58 g/mol
Exact Mass466.19
IUPAC Name1-[(E)-5-[(2R)-2-[3-(cyclopentylmethoxy)-4-fluorophenyl]propyl]sulfonylpent-2-enyl]imidazolidine-2,4-dione
SMILESC[C@@H](CS(=O)(=O)CC/C=C/CN1CC(=O)NC1=O)c1ccc(F)c(OCC2CCCC2)c1
InChIInChI=1S/C23H31FN2O5S/c1-17(19-9-10-20(24)21(13-19)31-15-18-7-3-4-8-18)16-32(29,30)12-6-2-5-11-26-14-22(27)25-23(26)28/h2,5,9-10,13,17-18H,3-4,6-8,11-12,14-16H2,1H3,(H,25,27,28)/b5-2+/t17-/m0/s1
InChIKeyGESZVLXNEJSEMF-RTZWDOBSSA-N
XLogP3.41
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-5-[(2R)-2-[3-(cyclopentylmethoxy)-4-fluorophenyl]propyl]sulfonylpent-2-enyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[(E)-5-[(2R)-2-[3-(cyclopentylmethoxy)-4-fluorophenyl]propyl]sulfonylpent-2-enyl]imidazolidine-2,4-dione (CID 147625766) is 1-[(E)-5-[(2R)-2-[3-(cyclopentylmethoxy)-4-fluorophenyl]propyl]sulfonylpent-2-enyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[(E)-5-[(2R)-2-[3-(cyclopentylmethoxy)-4-fluorophenyl]propyl]sulfonylpent-2-enyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[(E)-5-[(2R)-2-[3-(cyclopentylmethoxy)-4-fluorophenyl]propyl]sulfonylpent-2-enyl]imidazolidine-2,4-dione is C[C@@H](CS(=O)(=O)CC/C=C/CN1CC(=O)NC1=O)c1ccc(F)c(OCC2CCCC2)c1.
What is the InChIKey of 1-[(E)-5-[(2R)-2-[3-(cyclopentylmethoxy)-4-fluorophenyl]propyl]sulfonylpent-2-enyl]imidazolidine-2,4-dione?
The InChIKey is GESZVLXNEJSEMF-RTZWDOBSSA-N. The full InChI is InChI=1S/C23H31FN2O5S/c1-17(19-9-10-20(24)21(13-19)31-15-18-7-3-4-8-18)16-32(29,30)12-6-2-5-11-26-14-22(27)25-23(26)28/h2,5,9-10,13,17-18H,3-4,6-8,11-12,14-16H2,1H3,(H,25,27,28)/b5-2+/t17-/m0/s1.
What are the key properties of 1-[(E)-5-[(2R)-2-[3-(cyclopentylmethoxy)-4-fluorophenyl]propyl]sulfonylpent-2-enyl]imidazolidine-2,4-dione?
1-[(E)-5-[(2R)-2-[3-(cyclopentylmethoxy)-4-fluorophenyl]propyl]sulfonylpent-2-enyl]imidazolidine-2,4-dione has a molecular weight of 466.58 g/mol, XLogP of 3.41, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-5-[(2R)-2-[3-(cyclopentylmethoxy)-4-fluorophenyl]propyl]sulfonylpent-2-enyl]imidazolidine-2,4-dione is sourced from PubChem (CID 147625766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).