N-hydroxy-4-[4-[3-[2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide

C25H28F3N3O8S — CID 20620407

IUPACN-hydroxy-4-[4-[3-[2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide
SMILESO=C1N(CCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)CCN1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C25H28F3N3O8S/c26-25(27,28)39-20-4-2-18(3-5-20)31-14-13-30(23(31)33)12-1-15-38-19-6-8-21(9-7-19)40(35,36)24(22(32)29-34)10-16-37-17-11-24/h2-9,34H,1,10-17H2,(H,29,32)
InChIKeyPHEMJOCDBAPAOH-UHFFFAOYSA-N
MW587.57 g/mol
LogP3.12
Rot. Bonds10

About N-hydroxy-4-[4-[3-[2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide

N-hydroxy-4-[4-[3-[2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide (PubChem CID 20620407) has the molecular formula C25H28F3N3O8S and a molecular weight of 587.57 g/mol. Its IUPAC name is N-hydroxy-4-[4-[3-[2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-[3-[2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide
PubChem CID20620407
Molecular FormulaC25H28F3N3O8S
Molecular Weight587.57 g/mol
Exact Mass587.15
IUPAC NameN-hydroxy-4-[4-[3-[2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide
SMILESO=C1N(CCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)CCN1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C25H28F3N3O8S/c26-25(27,28)39-20-4-2-18(3-5-20)31-14-13-30(23(31)33)12-1-15-38-19-6-8-21(9-7-19)40(35,36)24(22(32)29-34)10-16-37-17-11-24/h2-9,34H,1,10-17H2,(H,29,32)
InChIKeyPHEMJOCDBAPAOH-UHFFFAOYSA-N
XLogP3.12
TPSA134.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500587.57
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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
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-(trifluoromethyl)phenyl]imidazolidin-1-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 20620408
4-[4-[3-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 20620482
N-hydroxy-4-[4-[4-oxo-4-[3-(trifluoromethoxy)anilino]butoxy]phenyl]sulfonyloxane-4-carboxamide
CID 20620710

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-[3-[2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-[4-[3-[2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide (CID 20620407) is N-hydroxy-4-[4-[3-[2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[4-[3-[2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[4-[3-[2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide is O=C1N(CCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)CCN1c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-hydroxy-4-[4-[3-[2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide?
The InChIKey is PHEMJOCDBAPAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N3O8S/c26-25(27,28)39-20-4-2-18(3-5-20)31-14-13-30(23(31)33)12-1-15-38-19-6-8-21(9-7-19)40(35,36)24(22(32)29-34)10-16-37-17-11-24/h2-9,34H,1,10-17H2,(H,29,32).
What are the key properties of N-hydroxy-4-[4-[3-[2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide?
N-hydroxy-4-[4-[3-[2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide has a molecular weight of 587.57 g/mol, XLogP of 3.12, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-[3-[2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 20620407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).