N-hydroxy-4-[(4-naphthalen-2-ylphenyl)methylamino]-1,1-dioxothiane-4-carboxamide

C₂₃H₂₄N₂O₄S — CID 86275823

About N-hydroxy-4-[(4-naphthalen-2-ylphenyl)methylamino]-1,1-dioxothiane-4-carboxamide

N-hydroxy-4-[(4-naphthalen-2-ylphenyl)methylamino]-1,1-dioxothiane-4-carboxamide (PubChem CID 86275823) has the molecular formula C₂₃H₂₄N₂O₄S and a molecular weight of 424.52 g/mol. Its IUPAC name is N-hydroxy-4-[(4-naphthalen-2-ylphenyl)methylamino]-1,1-dioxothiane-4-carboxamide.

Molecular Properties

• Compound Name: N-hydroxy-4-[(4-naphthalen-2-ylphenyl)methylamino]-1,1-dioxothiane-4-carboxamide
• PubChem CID: 86275823
• Molecular Formula: C₂₃H₂₄N₂O₄S
• Molecular Weight: 424.52 g/mol
• Exact Mass: 424.15
• IUPAC Name: N-hydroxy-4-[(4-naphthalen-2-ylphenyl)methylamino]-1,1-dioxothiane-4-carboxamide
• SMILES: O=C(NO)C1(NCc2ccc(-c3ccc4ccccc4c3)cc2)CCS(=O)(=O)CC1
• InChI: InChI=1S/C23H24N2O4S/c26-22(25-27)23(11-13-30(28,29)14-12-23)24-16-17-5-7-19(8-6-17)21-10-9-18-3-1-2-4-20(18)15-21/h1-10,15,24,27H,11-14,16H2,(H,25,26)
• InChIKey: SJUPHKBFPMTTAD-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 95.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.52
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'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-naphthalen-2-ylphenyl)methylamino]-1,1-dioxothiane-4-carboxamide?

The IUPAC name of N-hydroxy-4-[(4-naphthalen-2-ylphenyl)methylamino]-1,1-dioxothiane-4-carboxamide (CID 86275823) is N-hydroxy-4-[(4-naphthalen-2-ylphenyl)methylamino]-1,1-dioxothiane-4-carboxamide.

What is the SMILES notation for N-hydroxy-4-[(4-naphthalen-2-ylphenyl)methylamino]-1,1-dioxothiane-4-carboxamide?

The canonical SMILES for N-hydroxy-4-[(4-naphthalen-2-ylphenyl)methylamino]-1,1-dioxothiane-4-carboxamide is O=C(NO)C1(NCc2ccc(-c3ccc4ccccc4c3)cc2)CCS(=O)(=O)CC1.

What is the InChIKey of N-hydroxy-4-[(4-naphthalen-2-ylphenyl)methylamino]-1,1-dioxothiane-4-carboxamide?

The InChIKey is SJUPHKBFPMTTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c26-22(25-27)23(11-13-30(28,29)14-12-23)24-16-17-5-7-19(8-6-17)21-10-9-18-3-1-2-4-20(18)15-21/h1-10,15,24,27H,11-14,16H2,(H,25,26).

What are the key properties of N-hydroxy-4-[(4-naphthalen-2-ylphenyl)methylamino]-1,1-dioxothiane-4-carboxamide?

N-hydroxy-4-[(4-naphthalen-2-ylphenyl)methylamino]-1,1-dioxothiane-4-carboxamide has a molecular weight of 424.52 g/mol, XLogP of 3.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-4-[(4-naphthalen-2-ylphenyl)methylamino]-1,1-dioxothiane-4-carboxamide is sourced from PubChem (CID 86275823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 86275823 — identifiers, structure, computed properties (public domain)

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