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

C23H34FN3O6S — CID 147675838

IUPAC1-[5-[(2R)-2-[4-fluoro-3-(2-morpholin-4-ylethoxy)phenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione
SMILESC[C@@H](CS(=O)(=O)CCCCCN1CC(=O)NC1=O)c1ccc(F)c(OCCN2CCOCC2)c1
InChIInChI=1S/C23H34FN3O6S/c1-18(17-34(30,31)14-4-2-3-7-27-16-22(28)25-23(27)29)19-5-6-20(24)21(15-19)33-13-10-26-8-11-32-12-9-26/h5-6,15,18H,2-4,7-14,16-17H2,1H3,(H,25,28,29)/t18-/m0/s1
InChIKeyGODNQNUPQKJJLD-SFHVURJKSA-N
MW499.61 g/mol
LogP1.78
Rot. Bonds13

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

1-[5-[(2R)-2-[4-fluoro-3-(2-morpholin-4-ylethoxy)phenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione (PubChem CID 147675838) has the molecular formula C23H34FN3O6S and a molecular weight of 499.61 g/mol. Its IUPAC name is 1-[5-[(2R)-2-[4-fluoro-3-(2-morpholin-4-ylethoxy)phenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[5-[(2R)-2-[4-fluoro-3-(2-morpholin-4-ylethoxy)phenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione
PubChem CID147675838
Molecular FormulaC23H34FN3O6S
Molecular Weight499.61 g/mol
Exact Mass499.22
IUPAC Name1-[5-[(2R)-2-[4-fluoro-3-(2-morpholin-4-ylethoxy)phenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione
SMILESC[C@@H](CS(=O)(=O)CCCCCN1CC(=O)NC1=O)c1ccc(F)c(OCCN2CCOCC2)c1
InChIInChI=1S/C23H34FN3O6S/c1-18(17-34(30,31)14-4-2-3-7-27-16-22(28)25-23(27)29)19-5-6-20(24)21(15-19)33-13-10-26-8-11-32-12-9-26/h5-6,15,18H,2-4,7-14,16-17H2,1H3,(H,25,28,29)/t18-/m0/s1
InChIKeyGODNQNUPQKJJLD-SFHVURJKSA-N
XLogP1.78
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.61
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-morpholin-4-ylethoxy)phenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[5-[(2R)-2-[4-fluoro-3-(2-morpholin-4-ylethoxy)phenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione (CID 147675838) is 1-[5-[(2R)-2-[4-fluoro-3-(2-morpholin-4-ylethoxy)phenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[5-[(2R)-2-[4-fluoro-3-(2-morpholin-4-ylethoxy)phenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[5-[(2R)-2-[4-fluoro-3-(2-morpholin-4-ylethoxy)phenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione is C[C@@H](CS(=O)(=O)CCCCCN1CC(=O)NC1=O)c1ccc(F)c(OCCN2CCOCC2)c1.
What is the InChIKey of 1-[5-[(2R)-2-[4-fluoro-3-(2-morpholin-4-ylethoxy)phenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione?
The InChIKey is GODNQNUPQKJJLD-SFHVURJKSA-N. The full InChI is InChI=1S/C23H34FN3O6S/c1-18(17-34(30,31)14-4-2-3-7-27-16-22(28)25-23(27)29)19-5-6-20(24)21(15-19)33-13-10-26-8-11-32-12-9-26/h5-6,15,18H,2-4,7-14,16-17H2,1H3,(H,25,28,29)/t18-/m0/s1.
What are the key properties of 1-[5-[(2R)-2-[4-fluoro-3-(2-morpholin-4-ylethoxy)phenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione?
1-[5-[(2R)-2-[4-fluoro-3-(2-morpholin-4-ylethoxy)phenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione has a molecular weight of 499.61 g/mol, XLogP of 1.78, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2R)-2-[4-fluoro-3-(2-morpholin-4-ylethoxy)phenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione is sourced from PubChem (CID 147675838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).