N-[(1R)-1-(2,4-dioxoimidazolidin-1-yl)-1-[4-fluoro-3-(oxan-4-ylmethoxy)phenyl]ethyl]pentane-1-sulfonamide

C22H32FN3O6S — CID 153312076

IUPACN-[(1R)-1-(2,4-dioxoimidazolidin-1-yl)-1-[4-fluoro-3-(oxan-4-ylmethoxy)phenyl]ethyl]pentane-1-sulfonamide
SMILESCCCCCS(=O)(=O)N[C@](C)(c1ccc(F)c(OCC2CCOCC2)c1)N1CC(=O)NC1=O
InChIInChI=1S/C22H32FN3O6S/c1-3-4-5-12-33(29,30)25-22(2,26-14-20(27)24-21(26)28)17-6-7-18(23)19(13-17)32-15-16-8-10-31-11-9-16/h6-7,13,16,25H,3-5,8-12,14-15H2,1-2H3,(H,24,27,28)/t22-/m0/s1
InChIKeyZFPBFDFUQYZHIP-QFIPXVFZSA-N
MW485.58 g/mol
LogP2.47
Rot. Bonds11

About N-[(1R)-1-(2,4-dioxoimidazolidin-1-yl)-1-[4-fluoro-3-(oxan-4-ylmethoxy)phenyl]ethyl]pentane-1-sulfonamide

N-[(1R)-1-(2,4-dioxoimidazolidin-1-yl)-1-[4-fluoro-3-(oxan-4-ylmethoxy)phenyl]ethyl]pentane-1-sulfonamide (PubChem CID 153312076) has the molecular formula C22H32FN3O6S and a molecular weight of 485.58 g/mol. Its IUPAC name is N-[(1R)-1-(2,4-dioxoimidazolidin-1-yl)-1-[4-fluoro-3-(oxan-4-ylmethoxy)phenyl]ethyl]pentane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,4-dioxoimidazolidin-1-yl)-1-[4-fluoro-3-(oxan-4-ylmethoxy)phenyl]ethyl]pentane-1-sulfonamide
PubChem CID153312076
Molecular FormulaC22H32FN3O6S
Molecular Weight485.58 g/mol
Exact Mass485.20
IUPAC NameN-[(1R)-1-(2,4-dioxoimidazolidin-1-yl)-1-[4-fluoro-3-(oxan-4-ylmethoxy)phenyl]ethyl]pentane-1-sulfonamide
SMILESCCCCCS(=O)(=O)N[C@](C)(c1ccc(F)c(OCC2CCOCC2)c1)N1CC(=O)NC1=O
InChIInChI=1S/C22H32FN3O6S/c1-3-4-5-12-33(29,30)25-22(2,26-14-20(27)24-21(26)28)17-6-7-18(23)19(13-17)32-15-16-8-10-31-11-9-16/h6-7,13,16,25H,3-5,8-12,14-15H2,1-2H3,(H,24,27,28)/t22-/m0/s1
InChIKeyZFPBFDFUQYZHIP-QFIPXVFZSA-N
XLogP2.47
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.58
LogP ≤ 52.47
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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Related Compounds

4-(bromomethyl)oxane;1-[5-[(2R)-2-(4-fluoro-3-hydroxyphenyl)propyl]sulfonylpentyl]imidazolidine-2,4-dione;1-[5-[(2R)-2-[4-fluoro-3-(oxan-4-ylmethoxy)phenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione
CID 159735410
N-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-hydroxypropyl]-5,5-dimethylhexane-1-sulfonamide
CID 146352817
N-[[3-(cyclopropylmethoxy)-4-fluorophenyl]-(oxetan-3-yl)methyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 142360664
N-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-4-(methylamino)butan-2-yl]-5-(2,4-dioxopyrimidin-1-yl)pentane-1-sulfonamide
CID 146352754
N-[(2S)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-hydroxybutyl]-4-(2,6-dioxopiperidin-3-yl)butane-1-sulfonamide
CID 134558234
N-[(2S)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-hydroxybutyl]-5,5-dimethylhexane-1-sulfonamide
CID 146352870
N-[(R)-[3-(cyclopropylmethoxy)-4-fluorophenyl]-(1-methylazetidin-3-yl)methyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 155370104
3-[5-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]sulfonylpentyl]piperidine-2,6-dione
CID 147666390
N-[(2S)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-hydroxybutyl]-3-hydroxypropane-1-sulfonamide
CID 134541210
1-[(E)-5-[2-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propan-2-yl]hydrazinyl]pent-2-enyl]imidazolidine-2,4-dione
CID 142361163
4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene
CID 135194896
N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-7,7-dimethyloctane-1-sulfonamide
CID 146352826

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,4-dioxoimidazolidin-1-yl)-1-[4-fluoro-3-(oxan-4-ylmethoxy)phenyl]ethyl]pentane-1-sulfonamide?
The IUPAC name of N-[(1R)-1-(2,4-dioxoimidazolidin-1-yl)-1-[4-fluoro-3-(oxan-4-ylmethoxy)phenyl]ethyl]pentane-1-sulfonamide (CID 153312076) is N-[(1R)-1-(2,4-dioxoimidazolidin-1-yl)-1-[4-fluoro-3-(oxan-4-ylmethoxy)phenyl]ethyl]pentane-1-sulfonamide.
What is the SMILES notation for N-[(1R)-1-(2,4-dioxoimidazolidin-1-yl)-1-[4-fluoro-3-(oxan-4-ylmethoxy)phenyl]ethyl]pentane-1-sulfonamide?
The canonical SMILES for N-[(1R)-1-(2,4-dioxoimidazolidin-1-yl)-1-[4-fluoro-3-(oxan-4-ylmethoxy)phenyl]ethyl]pentane-1-sulfonamide is CCCCCS(=O)(=O)N[C@](C)(c1ccc(F)c(OCC2CCOCC2)c1)N1CC(=O)NC1=O.
What is the InChIKey of N-[(1R)-1-(2,4-dioxoimidazolidin-1-yl)-1-[4-fluoro-3-(oxan-4-ylmethoxy)phenyl]ethyl]pentane-1-sulfonamide?
The InChIKey is ZFPBFDFUQYZHIP-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H32FN3O6S/c1-3-4-5-12-33(29,30)25-22(2,26-14-20(27)24-21(26)28)17-6-7-18(23)19(13-17)32-15-16-8-10-31-11-9-16/h6-7,13,16,25H,3-5,8-12,14-15H2,1-2H3,(H,24,27,28)/t22-/m0/s1.
What are the key properties of N-[(1R)-1-(2,4-dioxoimidazolidin-1-yl)-1-[4-fluoro-3-(oxan-4-ylmethoxy)phenyl]ethyl]pentane-1-sulfonamide?
N-[(1R)-1-(2,4-dioxoimidazolidin-1-yl)-1-[4-fluoro-3-(oxan-4-ylmethoxy)phenyl]ethyl]pentane-1-sulfonamide has a molecular weight of 485.58 g/mol, XLogP of 2.47, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,4-dioxoimidazolidin-1-yl)-1-[4-fluoro-3-(oxan-4-ylmethoxy)phenyl]ethyl]pentane-1-sulfonamide is sourced from PubChem (CID 153312076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).