4-[4-[3-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide

C24H28FN3O7S — CID 20620482

IUPAC4-[4-[3-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
SMILESO=C1N(CCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)CCN1c1ccc(F)cc1
InChIInChI=1S/C24H28FN3O7S/c25-18-2-4-19(5-3-18)28-14-13-27(23(28)30)12-1-15-35-20-6-8-21(9-7-20)36(32,33)24(22(29)26-31)10-16-34-17-11-24/h2-9,31H,1,10-17H2,(H,26,29)
InChIKeyISGDNONUVMLTHR-UHFFFAOYSA-N
MW521.57 g/mol
LogP2.37
Rot. Bonds9

About 4-[4-[3-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide

4-[4-[3-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide (PubChem CID 20620482) has the molecular formula C24H28FN3O7S and a molecular weight of 521.57 g/mol. Its IUPAC name is 4-[4-[3-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide.

Molecular Properties

Compound Name4-[4-[3-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
PubChem CID20620482
Molecular FormulaC24H28FN3O7S
Molecular Weight521.57 g/mol
Exact Mass521.16
IUPAC Name4-[4-[3-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
SMILESO=C1N(CCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)CCN1c1ccc(F)cc1
InChIInChI=1S/C24H28FN3O7S/c25-18-2-4-19(5-3-18)28-14-13-27(23(28)30)12-1-15-35-20-6-8-21(9-7-20)36(32,33)24(22(29)26-31)10-16-34-17-11-24/h2-9,31H,1,10-17H2,(H,26,29)
InChIKeyISGDNONUVMLTHR-UHFFFAOYSA-N
XLogP2.37
TPSA125.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.57
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-4-(4-(4-oxo-4-(4-(trifluoromethoxy)phenylamino)butoxy)phenylsulfonyl)tetrahydro-2H-pyran-4-carboxamide
CID 20620714
4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N4-hydroxy-N1-methyl-N1-phenylpiperidine-1,4-dicarboxamide
CID 44414001
N-hydroxy-4-(4-(4-(4-methoxyphenylamino)-4-oxobutoxy)phenylsulfonyl)tetrahydro-2H-pyran-4-carboxamide
CID 54583712
N-hydroxy-4-(4-(4-(4-methoxyphenyl)piperazin-1-yl)phenylsulfonyl)tetrahydro-2H-pyran-4-carboxamide
CID 46891172
N-hydroxy-4-(4-(4-(methyl(4-(trifluoromethoxy)phenyl)amino)-4-oxobutoxy)phenylsulfonyl)tetrahydro-2H-pyran-4-carboxamide
CID 20620715
4-(4-(4-(4-(dimethylamino)phenylamino)-4-oxobutoxy)phenylsulfonyl)-N-hydroxytetrahydro-2H-pyran-4-carboxamide
CID 20620860
4-(4-(5-(4-(dimethylamino)phenylamino)-5-oxopentyloxy)phenylsulfonyl)-N-hydroxytetrahydro-2H-pyran-4-carboxamide
CID 22484408
1-cyclopropyl-4-[4-[3-[2,5-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]propoxy]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide
CID 20620248
4-[4-[3-[2,5-dioxo-3-[3-(trifluoromethoxy)phenyl]imidazolidin-1-yl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 20620399
4-[4-[3-[2,5-dioxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 20620401
N-hydroxy-4-[4-[3-[2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 20620407
N-hydroxy-4-[4-[3-[2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 20620408

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?
The IUPAC name of 4-[4-[3-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide (CID 20620482) is 4-[4-[3-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide.
What is the SMILES notation for 4-[4-[3-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?
The canonical SMILES for 4-[4-[3-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide is O=C1N(CCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)CCN1c1ccc(F)cc1.
What is the InChIKey of 4-[4-[3-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?
The InChIKey is ISGDNONUVMLTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O7S/c25-18-2-4-19(5-3-18)28-14-13-27(23(28)30)12-1-15-35-20-6-8-21(9-7-20)36(32,33)24(22(29)26-31)10-16-34-17-11-24/h2-9,31H,1,10-17H2,(H,26,29).
What are the key properties of 4-[4-[3-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide?
4-[4-[3-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide has a molecular weight of 521.57 g/mol, XLogP of 2.37, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide is sourced from PubChem (CID 20620482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).