N-hydroxy-4-[4-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propoxy]phenyl]sulfonyloxane-4-carboxamide

C22H24N4O7S — CID 20620454

IUPACN-hydroxy-4-[4-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propoxy]phenyl]sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(OCCCc3nc(-c4cccnc4)no3)cc2)CCOCC1
InChIInChI=1S/C22H24N4O7S/c27-21(25-28)22(9-13-31-14-10-22)34(29,30)18-7-5-17(6-8-18)32-12-2-4-19-24-20(26-33-19)16-3-1-11-23-15-16/h1,3,5-8,11,15,28H,2,4,9-10,12-14H2,(H,25,27)
InChIKeyRPAWJOTTXLZQDA-UHFFFAOYSA-N
MW488.52 g/mol
LogP1.97
Rot. Bonds9

About N-hydroxy-4-[4-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propoxy]phenyl]sulfonyloxane-4-carboxamide

N-hydroxy-4-[4-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propoxy]phenyl]sulfonyloxane-4-carboxamide (PubChem CID 20620454) has the molecular formula C22H24N4O7S and a molecular weight of 488.52 g/mol. Its IUPAC name is N-hydroxy-4-[4-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propoxy]phenyl]sulfonyloxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propoxy]phenyl]sulfonyloxane-4-carboxamide
PubChem CID20620454
Molecular FormulaC22H24N4O7S
Molecular Weight488.52 g/mol
Exact Mass488.14
IUPAC NameN-hydroxy-4-[4-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propoxy]phenyl]sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(OCCCc3nc(-c4cccnc4)no3)cc2)CCOCC1
InChIInChI=1S/C22H24N4O7S/c27-21(25-28)22(9-13-31-14-10-22)34(29,30)18-7-5-17(6-8-18)32-12-2-4-19-24-20(26-33-19)16-3-1-11-23-15-16/h1,3,5-8,11,15,28H,2,4,9-10,12-14H2,(H,25,27)
InChIKeyRPAWJOTTXLZQDA-UHFFFAOYSA-N
XLogP1.97
TPSA153.74 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.52
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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'}

Analyze N-hydroxy-4-[4-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propoxy]phenyl]sulfonyloxane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 20620465
4-[4-[3-[3-(2,6-difluoro-1-propan-2-ylpyridin-1-ium-4-yl)-1,2,4-oxadiazol-5-yl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 20620425
N-hydroxy-4-[4-[3-(pyridin-3-ylmethoxy)propoxy]phenyl]sulfonyloxane-4-carboxamide;hydrochloride
CID 162305150
N-hydroxy-4-[4-[3-(3-pyridin-2-ylphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 20620438
N-hydroxy-4-[4-[3-(6-propyl-3-pyridinyl)propoxy]phenyl]sulfonyloxane-4-carboxamide;hydrochloride
CID 162309468
4-[4-[2-[4-(aminomethyl)phenoxy]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 10253230
4-[4-[3-[3-(3,5-dimethylphenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 20620448
4-[4-[3-(4-fluoro-3-phenylphenyl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 20620563
N-hydroxy-4-[4-(3-oxo-3-phenylpropoxy)phenyl]sulfonyloxane-4-carboxamide
CID 10159973
N-hydroxy-4-[4-[4-(4-methoxyphenyl)-4-oxobutoxy]phenyl]sulfonyloxane-4-carboxamide
CID 10184126
N-hydroxy-4-[4-[3-(methylsulfamoyl)propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 20620677
N-hydroxy-4-[4-[3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propoxy]phenyl]sulfonyl-1-(3-oxopropyl)piperidine-4-carboxamide;hydrochloride
CID 158898130

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propoxy]phenyl]sulfonyloxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-[4-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propoxy]phenyl]sulfonyloxane-4-carboxamide (CID 20620454) is N-hydroxy-4-[4-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propoxy]phenyl]sulfonyloxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[4-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propoxy]phenyl]sulfonyloxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[4-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propoxy]phenyl]sulfonyloxane-4-carboxamide is O=C(NO)C1(S(=O)(=O)c2ccc(OCCCc3nc(-c4cccnc4)no3)cc2)CCOCC1.
What is the InChIKey of N-hydroxy-4-[4-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propoxy]phenyl]sulfonyloxane-4-carboxamide?
The InChIKey is RPAWJOTTXLZQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O7S/c27-21(25-28)22(9-13-31-14-10-22)34(29,30)18-7-5-17(6-8-18)32-12-2-4-19-24-20(26-33-19)16-3-1-11-23-15-16/h1,3,5-8,11,15,28H,2,4,9-10,12-14H2,(H,25,27).
What are the key properties of N-hydroxy-4-[4-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propoxy]phenyl]sulfonyloxane-4-carboxamide?
N-hydroxy-4-[4-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propoxy]phenyl]sulfonyloxane-4-carboxamide has a molecular weight of 488.52 g/mol, XLogP of 1.97, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propoxy]phenyl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 20620454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).