N-hydroxy-4-[4-[(E)-2-methyl-3-phenylprop-2-enoxy]phenyl]sulfonyloxane-4-carboxamide

C22H25NO6S — CID 20620387

IUPACN-hydroxy-4-[4-[(E)-2-methyl-3-phenylprop-2-enoxy]phenyl]sulfonyloxane-4-carboxamide
SMILESC/C(=C\c1ccccc1)COc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1
InChIInChI=1S/C22H25NO6S/c1-17(15-18-5-3-2-4-6-18)16-29-19-7-9-20(10-8-19)30(26,27)22(21(24)23-25)11-13-28-14-12-22/h2-10,15,25H,11-14,16H2,1H3,(H,23,24)/b17-15+
InChIKeyVXQJFDFWHUAWFV-BMRADRMJSA-N
MW431.51 g/mol
LogP3.00
Rot. Bonds7

About N-hydroxy-4-[4-[(E)-2-methyl-3-phenylprop-2-enoxy]phenyl]sulfonyloxane-4-carboxamide

N-hydroxy-4-[4-[(E)-2-methyl-3-phenylprop-2-enoxy]phenyl]sulfonyloxane-4-carboxamide (PubChem CID 20620387) has the molecular formula C22H25NO6S and a molecular weight of 431.51 g/mol. Its IUPAC name is N-hydroxy-4-[4-[(E)-2-methyl-3-phenylprop-2-enoxy]phenyl]sulfonyloxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-[(E)-2-methyl-3-phenylprop-2-enoxy]phenyl]sulfonyloxane-4-carboxamide
PubChem CID20620387
Molecular FormulaC22H25NO6S
Molecular Weight431.51 g/mol
Exact Mass431.14
IUPAC NameN-hydroxy-4-[4-[(E)-2-methyl-3-phenylprop-2-enoxy]phenyl]sulfonyloxane-4-carboxamide
SMILESC/C(=C\c1ccccc1)COc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1
InChIInChI=1S/C22H25NO6S/c1-17(15-18-5-3-2-4-6-18)16-29-19-7-9-20(10-8-19)30(26,27)22(21(24)23-25)11-13-28-14-12-22/h2-10,15,25H,11-14,16H2,1H3,(H,23,24)/b17-15+
InChIKeyVXQJFDFWHUAWFV-BMRADRMJSA-N
XLogP3.00
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-(3-oxo-3-phenylpropoxy)phenyl]sulfonyloxane-4-carboxamide
CID 10159973
4-[4-[2-[4-(aminomethyl)phenoxy]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 10253230
4-[4-(3-benzylsulfonyl-2,2-dimethylpropoxy)phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 20620661
N-hydroxy-4-[4-[3-(methylsulfamoyl)propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 20620677
N-hydroxy-4-[4-[3-(4-methoxyphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 20620571
N-hydroxy-4-[4-(4-naphthalen-1-yl-4-oxobutoxy)phenyl]sulfonyloxane-4-carboxamide
CID 10207036
N-hydroxy-4-(4-phenylsulfanylphenyl)sulfonyloxane-4-carboxamide
CID 22485342
N-hydroxy-4-[4-[4-(4-methoxyphenyl)butyl]phenyl]sulfonyloxane-4-carboxamide
CID 20620689
4-[4-[3-(2,5-dioxo-3-phenylimidazolidin-1-yl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 20620402
N-hydroxy-4-[4-[4-(4-methoxyphenyl)-4-oxobutoxy]phenyl]sulfonyloxane-4-carboxamide
CID 10184126
4-[4-[3-[[amino-(4-methoxyphenyl)methylidene]amino]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[2-[[amino(phenyl)methylidene]amino]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;molecular hydrogen
CID 160761493
N-hydroxy-4-[4-[2-(3-nitrophenoxy)ethoxy]phenyl]sulfonyloxane-4-carboxamide
CID 10412225

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-[(E)-2-methyl-3-phenylprop-2-enoxy]phenyl]sulfonyloxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-[4-[(E)-2-methyl-3-phenylprop-2-enoxy]phenyl]sulfonyloxane-4-carboxamide (CID 20620387) is N-hydroxy-4-[4-[(E)-2-methyl-3-phenylprop-2-enoxy]phenyl]sulfonyloxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[4-[(E)-2-methyl-3-phenylprop-2-enoxy]phenyl]sulfonyloxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[4-[(E)-2-methyl-3-phenylprop-2-enoxy]phenyl]sulfonyloxane-4-carboxamide is C/C(=C\c1ccccc1)COc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1.
What is the InChIKey of N-hydroxy-4-[4-[(E)-2-methyl-3-phenylprop-2-enoxy]phenyl]sulfonyloxane-4-carboxamide?
The InChIKey is VXQJFDFWHUAWFV-BMRADRMJSA-N. The full InChI is InChI=1S/C22H25NO6S/c1-17(15-18-5-3-2-4-6-18)16-29-19-7-9-20(10-8-19)30(26,27)22(21(24)23-25)11-13-28-14-12-22/h2-10,15,25H,11-14,16H2,1H3,(H,23,24)/b17-15+.
What are the key properties of N-hydroxy-4-[4-[(E)-2-methyl-3-phenylprop-2-enoxy]phenyl]sulfonyloxane-4-carboxamide?
N-hydroxy-4-[4-[(E)-2-methyl-3-phenylprop-2-enoxy]phenyl]sulfonyloxane-4-carboxamide has a molecular weight of 431.51 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-[(E)-2-methyl-3-phenylprop-2-enoxy]phenyl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 20620387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).