N-hydroxy-4-[4-[3-(3-pyridin-2-ylphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide

C26H28N2O6S — CID 20620438

IUPACN-hydroxy-4-[4-[3-(3-pyridin-2-ylphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(OCCCc3cccc(-c4ccccn4)c3)cc2)CCOCC1
InChIInChI=1S/C26H28N2O6S/c29-25(28-30)26(13-17-33-18-14-26)35(31,32)23-11-9-22(10-12-23)34-16-4-6-20-5-3-7-21(19-20)24-8-1-2-15-27-24/h1-3,5,7-12,15,19,30H,4,6,13-14,16-18H2,(H,28,29)
InChIKeyPYGBUZNUHGJXGY-UHFFFAOYSA-N
MW496.59 g/mol
LogP3.59
Rot. Bonds9

About N-hydroxy-4-[4-[3-(3-pyridin-2-ylphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide

N-hydroxy-4-[4-[3-(3-pyridin-2-ylphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide (PubChem CID 20620438) has the molecular formula C26H28N2O6S and a molecular weight of 496.59 g/mol. Its IUPAC name is N-hydroxy-4-[4-[3-(3-pyridin-2-ylphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-[3-(3-pyridin-2-ylphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide
PubChem CID20620438
Molecular FormulaC26H28N2O6S
Molecular Weight496.59 g/mol
Exact Mass496.17
IUPAC NameN-hydroxy-4-[4-[3-(3-pyridin-2-ylphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(OCCCc3cccc(-c4ccccn4)c3)cc2)CCOCC1
InChIInChI=1S/C26H28N2O6S/c29-25(28-30)26(13-17-33-18-14-26)35(31,32)23-11-9-22(10-12-23)34-16-4-6-20-5-3-7-21(19-20)24-8-1-2-15-27-24/h1-3,5,7-12,15,19,30H,4,6,13-14,16-18H2,(H,28,29)
InChIKeyPYGBUZNUHGJXGY-UHFFFAOYSA-N
XLogP3.59
TPSA114.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 53.59
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

4-[4-[3-[3-(3,5-dimethylphenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 20620448
N-hydroxy-4-[4-[2-[4-(3-hydroxyphenyl)phenyl]ethoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[2-[4-(4-hydroxyphenyl)phenyl]ethoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(3-hydroxyphenyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(4-hydroxyphenyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 157108031
4-[4-[3-(4-fluoro-3-phenylphenyl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 20620563
4-[4-[3-[3-(2,3-dihydro-1-benzofuran-5-yl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 20780929
4-[4-[2-[3-(2-fluorophenyl)phenyl]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 20620341
N-hydroxy-4-[4-[3-(4-methoxyphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 20620571
4-[4-[2-[4-(aminomethyl)phenoxy]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 10253230
4-[4-[3-[3-(2,4-dichlorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[3-[3-(3,5-dichlorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(4-methylphenyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 161308294
4-[4-[3-[3-(2-chlorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[3-[3-(2-fluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[3-[3-(3-fluorophenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[3-[3-(2-methylphenyl)phenyl]propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 162021469
N-hydroxy-4-[4-[3-(6-propyl-3-pyridinyl)propoxy]phenyl]sulfonyloxane-4-carboxamide;hydrochloride
CID 162309468
4-[4-[2-(3-carbamoylphenoxy)ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[2-(3-phenylphenoxy)ethoxy]phenyl]sulfonyloxane-4-carboxamide
CID 158147702
N-hydroxy-4-[4-(3-oxo-3-phenylpropoxy)phenyl]sulfonyloxane-4-carboxamide
CID 10159973

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-[3-(3-pyridin-2-ylphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-[4-[3-(3-pyridin-2-ylphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide (CID 20620438) is N-hydroxy-4-[4-[3-(3-pyridin-2-ylphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[4-[3-(3-pyridin-2-ylphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[4-[3-(3-pyridin-2-ylphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide is O=C(NO)C1(S(=O)(=O)c2ccc(OCCCc3cccc(-c4ccccn4)c3)cc2)CCOCC1.
What is the InChIKey of N-hydroxy-4-[4-[3-(3-pyridin-2-ylphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide?
The InChIKey is PYGBUZNUHGJXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O6S/c29-25(28-30)26(13-17-33-18-14-26)35(31,32)23-11-9-22(10-12-23)34-16-4-6-20-5-3-7-21(19-20)24-8-1-2-15-27-24/h1-3,5,7-12,15,19,30H,4,6,13-14,16-18H2,(H,28,29).
What are the key properties of N-hydroxy-4-[4-[3-(3-pyridin-2-ylphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide?
N-hydroxy-4-[4-[3-(3-pyridin-2-ylphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide has a molecular weight of 496.59 g/mol, XLogP of 3.59, 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-(3-pyridin-2-ylphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 20620438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).