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

C25H34N4O8S — CID 20620586

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

N-hydroxy-4-[4-[3-[5-(1-propanoylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide (PubChem CID 20620586) has the molecular formula C25H34N4O8S and a molecular weight of 550.63 g/mol. Its IUPAC name is N-hydroxy-4-[4-[3-[5-(1-propanoylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide.

Molecular Properties

• Compound Name: N-hydroxy-4-[4-[3-[5-(1-propanoylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide
• PubChem CID: 20620586
• Molecular Formula: C25H34N4O8S
• Molecular Weight: 550.63 g/mol
• Exact Mass: 550.21
• IUPAC Name: N-hydroxy-4-[4-[3-[5-(1-propanoylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide
• SMILES: CCC(=O)N1CCC(c2nnc(CCCOc3ccc(S(=O)(=O)C4(C(=O)NO)CCOCC4)cc3)o2)CC1
• InChI: InChI=1S/C25H34N4O8S/c1-2-22(30)29-13-9-18(10-14-29)23-27-26-21(37-23)4-3-15-36-19-5-7-20(8-6-19)38(33,34)25(24(31)28-32)11-16-35-17-12-25/h5-8,18,32H,2-4,9-17H2,1H3,(H,28,31)
• InChIKey: IELTYCPECMCTDV-UHFFFAOYSA-N
• XLogP: 2.03
• TPSA: 161.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	550.63
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

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'}

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-[3-[5-(1-propanoylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide?

The IUPAC name of N-hydroxy-4-[4-[3-[5-(1-propanoylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide (CID 20620586) is N-hydroxy-4-[4-[3-[5-(1-propanoylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide.

What is the SMILES notation for N-hydroxy-4-[4-[3-[5-(1-propanoylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide?

The canonical SMILES for N-hydroxy-4-[4-[3-[5-(1-propanoylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide is CCC(=O)N1CCC(c2nnc(CCCOc3ccc(S(=O)(=O)C4(C(=O)NO)CCOCC4)cc3)o2)CC1.

What is the InChIKey of N-hydroxy-4-[4-[3-[5-(1-propanoylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide?

The InChIKey is IELTYCPECMCTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O8S/c1-2-22(30)29-13-9-18(10-14-29)23-27-26-21(37-23)4-3-15-36-19-5-7-20(8-6-19)38(33,34)25(24(31)28-32)11-16-35-17-12-25/h5-8,18,32H,2-4,9-17H2,1H3,(H,28,31).

What are the key properties of N-hydroxy-4-[4-[3-[5-(1-propanoylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide?

N-hydroxy-4-[4-[3-[5-(1-propanoylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide has a molecular weight of 550.63 g/mol, XLogP of 2.03, 10 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-[5-(1-propanoylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 20620586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).