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

C21H31FN2O6S — CID 146793627

IUPAC1-[5-[(2R)-2-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione
SMILESC[C@@H](CS(=O)(=O)CCCCCN1CC(=O)NC1=O)c1ccc(F)c(OCC(C)(C)O)c1
InChIInChI=1S/C21H31FN2O6S/c1-15(16-7-8-17(22)18(11-16)30-14-21(2,3)27)13-31(28,29)10-6-4-5-9-24-12-19(25)23-20(24)26/h7-8,11,15,27H,4-6,9-10,12-14H2,1-3H3,(H,23,25,26)/t15-/m0/s1
InChIKeyRWHWZERJGSIOST-HNNXBMFYSA-N
MW458.55 g/mol
LogP2.22
Rot. Bonds12

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

1-[5-[(2R)-2-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione (PubChem CID 146793627) has the molecular formula C21H31FN2O6S and a molecular weight of 458.55 g/mol. Its IUPAC name is 1-[5-[(2R)-2-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[5-[(2R)-2-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione
PubChem CID146793627
Molecular FormulaC21H31FN2O6S
Molecular Weight458.55 g/mol
Exact Mass458.19
IUPAC Name1-[5-[(2R)-2-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione
SMILESC[C@@H](CS(=O)(=O)CCCCCN1CC(=O)NC1=O)c1ccc(F)c(OCC(C)(C)O)c1
InChIInChI=1S/C21H31FN2O6S/c1-15(16-7-8-17(22)18(11-16)30-14-21(2,3)27)13-31(28,29)10-6-4-5-9-24-12-19(25)23-20(24)26/h7-8,11,15,27H,4-6,9-10,12-14H2,1-3H3,(H,23,25,26)/t15-/m0/s1
InChIKeyRWHWZERJGSIOST-HNNXBMFYSA-N
XLogP2.22
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.55
LogP ≤ 52.22
H-Bond Donors ≤ 52
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-[5-[(2R)-2-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[5-[(2R)-2-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione (CID 146793627) is 1-[5-[(2R)-2-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[5-[(2R)-2-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[5-[(2R)-2-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione is C[C@@H](CS(=O)(=O)CCCCCN1CC(=O)NC1=O)c1ccc(F)c(OCC(C)(C)O)c1.
What is the InChIKey of 1-[5-[(2R)-2-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione?
The InChIKey is RWHWZERJGSIOST-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H31FN2O6S/c1-15(16-7-8-17(22)18(11-16)30-14-21(2,3)27)13-31(28,29)10-6-4-5-9-24-12-19(25)23-20(24)26/h7-8,11,15,27H,4-6,9-10,12-14H2,1-3H3,(H,23,25,26)/t15-/m0/s1.
What are the key properties of 1-[5-[(2R)-2-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione?
1-[5-[(2R)-2-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione has a molecular weight of 458.55 g/mol, XLogP of 2.22, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2R)-2-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione is sourced from PubChem (CID 146793627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).