1-[3-[(2R)-2-(3-cyclopentyloxy-4-fluorophenyl)propyl]sulfonylpropoxymethyl]imidazolidine-2,4-dione

C21H29FN2O6S — CID 147806948

IUPAC1-[3-[(2R)-2-(3-cyclopentyloxy-4-fluorophenyl)propyl]sulfonylpropoxymethyl]imidazolidine-2,4-dione
SMILESC[C@@H](CS(=O)(=O)CCCOCN1CC(=O)NC1=O)c1ccc(F)c(OC2CCCC2)c1
InChIInChI=1S/C21H29FN2O6S/c1-15(16-7-8-18(22)19(11-16)30-17-5-2-3-6-17)13-31(27,28)10-4-9-29-14-24-12-20(25)23-21(24)26/h7-8,11,15,17H,2-6,9-10,12-14H2,1H3,(H,23,25,26)/t15-/m0/s1
InChIKeyHMPSHGQJJWFHEX-HNNXBMFYSA-N
MW456.54 g/mol
LogP2.58
Rot. Bonds11

About 1-[3-[(2R)-2-(3-cyclopentyloxy-4-fluorophenyl)propyl]sulfonylpropoxymethyl]imidazolidine-2,4-dione

1-[3-[(2R)-2-(3-cyclopentyloxy-4-fluorophenyl)propyl]sulfonylpropoxymethyl]imidazolidine-2,4-dione (PubChem CID 147806948) has the molecular formula C21H29FN2O6S and a molecular weight of 456.54 g/mol. Its IUPAC name is 1-[3-[(2R)-2-(3-cyclopentyloxy-4-fluorophenyl)propyl]sulfonylpropoxymethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[3-[(2R)-2-(3-cyclopentyloxy-4-fluorophenyl)propyl]sulfonylpropoxymethyl]imidazolidine-2,4-dione
PubChem CID147806948
Molecular FormulaC21H29FN2O6S
Molecular Weight456.54 g/mol
Exact Mass456.17
IUPAC Name1-[3-[(2R)-2-(3-cyclopentyloxy-4-fluorophenyl)propyl]sulfonylpropoxymethyl]imidazolidine-2,4-dione
SMILESC[C@@H](CS(=O)(=O)CCCOCN1CC(=O)NC1=O)c1ccc(F)c(OC2CCCC2)c1
InChIInChI=1S/C21H29FN2O6S/c1-15(16-7-8-18(22)19(11-16)30-17-5-2-3-6-17)13-31(27,28)10-4-9-29-14-24-12-20(25)23-21(24)26/h7-8,11,15,17H,2-6,9-10,12-14H2,1H3,(H,23,25,26)/t15-/m0/s1
InChIKeyHMPSHGQJJWFHEX-HNNXBMFYSA-N
XLogP2.58
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[3-[(2R)-2-(3-cyclopentyloxy-4-fluorophenyl)propyl]sulfonylpropoxymethyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[3-[(2R)-2-(3-cyclopentyloxy-4-fluorophenyl)propyl]sulfonylpropoxymethyl]imidazolidine-2,4-dione (CID 147806948) is 1-[3-[(2R)-2-(3-cyclopentyloxy-4-fluorophenyl)propyl]sulfonylpropoxymethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[3-[(2R)-2-(3-cyclopentyloxy-4-fluorophenyl)propyl]sulfonylpropoxymethyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[3-[(2R)-2-(3-cyclopentyloxy-4-fluorophenyl)propyl]sulfonylpropoxymethyl]imidazolidine-2,4-dione is C[C@@H](CS(=O)(=O)CCCOCN1CC(=O)NC1=O)c1ccc(F)c(OC2CCCC2)c1.
What is the InChIKey of 1-[3-[(2R)-2-(3-cyclopentyloxy-4-fluorophenyl)propyl]sulfonylpropoxymethyl]imidazolidine-2,4-dione?
The InChIKey is HMPSHGQJJWFHEX-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H29FN2O6S/c1-15(16-7-8-18(22)19(11-16)30-17-5-2-3-6-17)13-31(27,28)10-4-9-29-14-24-12-20(25)23-21(24)26/h7-8,11,15,17H,2-6,9-10,12-14H2,1H3,(H,23,25,26)/t15-/m0/s1.
What are the key properties of 1-[3-[(2R)-2-(3-cyclopentyloxy-4-fluorophenyl)propyl]sulfonylpropoxymethyl]imidazolidine-2,4-dione?
1-[3-[(2R)-2-(3-cyclopentyloxy-4-fluorophenyl)propyl]sulfonylpropoxymethyl]imidazolidine-2,4-dione has a molecular weight of 456.54 g/mol, XLogP of 2.58, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2R)-2-(3-cyclopentyloxy-4-fluorophenyl)propyl]sulfonylpropoxymethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 147806948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).