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

C25H28F3N3O7S — CID 20620408

IUPACN-hydroxy-4-[4-[3-[2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide
SMILESO=C1N(CCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)CCN1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H28F3N3O7S/c26-25(27,28)18-2-4-19(5-3-18)31-14-13-30(23(31)33)12-1-15-38-20-6-8-21(9-7-20)39(35,36)24(22(32)29-34)10-16-37-17-11-24/h2-9,34H,1,10-17H2,(H,29,32)
InChIKeyCZIYPMTYQAABCS-UHFFFAOYSA-N
MW571.57 g/mol
LogP3.24
Rot. Bonds9

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

N-hydroxy-4-[4-[3-[2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide (PubChem CID 20620408) has the molecular formula C25H28F3N3O7S and a molecular weight of 571.57 g/mol. Its IUPAC name is N-hydroxy-4-[4-[3-[2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-[3-[2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide
PubChem CID20620408
Molecular FormulaC25H28F3N3O7S
Molecular Weight571.57 g/mol
Exact Mass571.16
IUPAC NameN-hydroxy-4-[4-[3-[2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide
SMILESO=C1N(CCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)CCN1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H28F3N3O7S/c26-25(27,28)18-2-4-19(5-3-18)31-14-13-30(23(31)33)12-1-15-38-20-6-8-21(9-7-20)39(35,36)24(22(32)29-34)10-16-37-17-11-24/h2-9,34H,1,10-17H2,(H,29,32)
InChIKeyCZIYPMTYQAABCS-UHFFFAOYSA-N
XLogP3.24
TPSA125.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.57
LogP ≤ 53.24
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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-[3-[2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-[4-[3-[2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide (CID 20620408) is N-hydroxy-4-[4-[3-[2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[4-[3-[2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[4-[3-[2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide is O=C1N(CCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)CCN1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-hydroxy-4-[4-[3-[2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide?
The InChIKey is CZIYPMTYQAABCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N3O7S/c26-25(27,28)18-2-4-19(5-3-18)31-14-13-30(23(31)33)12-1-15-38-20-6-8-21(9-7-20)39(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-(trifluoromethyl)phenyl]imidazolidin-1-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide?
N-hydroxy-4-[4-[3-[2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide has a molecular weight of 571.57 g/mol, XLogP of 3.24, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-[3-[2-oxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 20620408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).