5-(2,4-dioxoimidazolidin-1-yl)-N-[1-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]ethyl]pentane-1-sulfonamide

C20H30FN3O6S — CID 134541500

IUPAC5-(2,4-dioxoimidazolidin-1-yl)-N-[1-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]ethyl]pentane-1-sulfonamide
SMILESCC(NS(=O)(=O)CCCCCN1CC(=O)NC1=O)c1ccc(F)c(OCC(C)(C)O)c1
InChIInChI=1S/C20H30FN3O6S/c1-14(15-7-8-16(21)17(11-15)30-13-20(2,3)27)23-31(28,29)10-6-4-5-9-24-12-18(25)22-19(24)26/h7-8,11,14,23,27H,4-6,9-10,12-13H2,1-3H3,(H,22,25,26)
InChIKeyOWWFZMCTSMIWTD-UHFFFAOYSA-N
MW459.54 g/mol
LogP1.68
Rot. Bonds12

About 5-(2,4-dioxoimidazolidin-1-yl)-N-[1-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]ethyl]pentane-1-sulfonamide

5-(2,4-dioxoimidazolidin-1-yl)-N-[1-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]ethyl]pentane-1-sulfonamide (PubChem CID 134541500) has the molecular formula C20H30FN3O6S and a molecular weight of 459.54 g/mol. Its IUPAC name is 5-(2,4-dioxoimidazolidin-1-yl)-N-[1-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]ethyl]pentane-1-sulfonamide.

Molecular Properties

Compound Name5-(2,4-dioxoimidazolidin-1-yl)-N-[1-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]ethyl]pentane-1-sulfonamide
PubChem CID134541500
Molecular FormulaC20H30FN3O6S
Molecular Weight459.54 g/mol
Exact Mass459.18
IUPAC Name5-(2,4-dioxoimidazolidin-1-yl)-N-[1-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]ethyl]pentane-1-sulfonamide
SMILESCC(NS(=O)(=O)CCCCCN1CC(=O)NC1=O)c1ccc(F)c(OCC(C)(C)O)c1
InChIInChI=1S/C20H30FN3O6S/c1-14(15-7-8-16(21)17(11-15)30-13-20(2,3)27)23-31(28,29)10-6-4-5-9-24-12-18(25)22-19(24)26/h7-8,11,14,23,27H,4-6,9-10,12-13H2,1-3H3,(H,22,25,26)
InChIKeyOWWFZMCTSMIWTD-UHFFFAOYSA-N
XLogP1.68
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.54
LogP ≤ 51.68
H-Bond Donors ≤ 53
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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Related Compounds

N-[1-[3-(cyanomethoxy)-4-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 153312100
1-[5-[(2R)-2-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione
CID 146793627
N-[1-[3-(2,2-dimethylpropoxy)-4-fluorophenyl]ethyl]-5-(2,4-dioxo-1,3-diazinan-1-yl)pentane-1-sulfonamide
CID 135378815
5-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-(4-fluoro-3-piperazin-1-ylphenyl)ethyl]pentane-1-sulfonamide
CID 134553976
N-[(R)-[3-(cyclopropylmethoxy)-4-fluorophenyl]-(1-methylazetidin-3-yl)methyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 155370104
N-[[3-(cyclopropylmethoxy)-4-fluorophenyl]-(oxetan-3-yl)methyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 142360664
N-[(1R)-1-[3-chloro-5-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 155370092
1-[7-[[1-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropyl]amino]heptyl]imidazolidine-2,4-dione
CID 134553917
N-[(1R)-1-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]ethyl]but-3-ene-1-sulfonamide
CID 134541229
3-[5-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]sulfamoyl]pentyl]-2,5-dioxoimidazolidine-1-carboxylic acid
CID 134544015
N-[(1S)-1-(2,4-difluoro-3-propoxyphenyl)ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 155370304
N-[(1R)-1-[5-(cyclopropylmethoxy)-4-fluoro-1H-pyrrol-2-yl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 148944581

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dioxoimidazolidin-1-yl)-N-[1-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]ethyl]pentane-1-sulfonamide?
The IUPAC name of 5-(2,4-dioxoimidazolidin-1-yl)-N-[1-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]ethyl]pentane-1-sulfonamide (CID 134541500) is 5-(2,4-dioxoimidazolidin-1-yl)-N-[1-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]ethyl]pentane-1-sulfonamide.
What is the SMILES notation for 5-(2,4-dioxoimidazolidin-1-yl)-N-[1-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]ethyl]pentane-1-sulfonamide?
The canonical SMILES for 5-(2,4-dioxoimidazolidin-1-yl)-N-[1-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]ethyl]pentane-1-sulfonamide is CC(NS(=O)(=O)CCCCCN1CC(=O)NC1=O)c1ccc(F)c(OCC(C)(C)O)c1.
What is the InChIKey of 5-(2,4-dioxoimidazolidin-1-yl)-N-[1-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]ethyl]pentane-1-sulfonamide?
The InChIKey is OWWFZMCTSMIWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN3O6S/c1-14(15-7-8-16(21)17(11-15)30-13-20(2,3)27)23-31(28,29)10-6-4-5-9-24-12-18(25)22-19(24)26/h7-8,11,14,23,27H,4-6,9-10,12-13H2,1-3H3,(H,22,25,26).
What are the key properties of 5-(2,4-dioxoimidazolidin-1-yl)-N-[1-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]ethyl]pentane-1-sulfonamide?
5-(2,4-dioxoimidazolidin-1-yl)-N-[1-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]ethyl]pentane-1-sulfonamide has a molecular weight of 459.54 g/mol, XLogP of 1.68, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dioxoimidazolidin-1-yl)-N-[1-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]ethyl]pentane-1-sulfonamide is sourced from PubChem (CID 134541500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).