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

C23H24N2O4S — CID 86275823

IUPACN-hydroxy-4-[(4-naphthalen-2-ylphenyl)methylamino]-1,1-dioxothiane-4-carboxamide
SMILESO=C(NO)C1(NCc2ccc(-c3ccc4ccccc4c3)cc2)CCS(=O)(=O)CC1
InChIInChI=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)
InChIKeySJUPHKBFPMTTAD-UHFFFAOYSA-N
MW424.52 g/mol
LogP3.05
Rot. Bonds5

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 NameN-hydroxy-4-[(4-naphthalen-2-ylphenyl)methylamino]-1,1-dioxothiane-4-carboxamide
PubChem CID86275823
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC NameN-hydroxy-4-[(4-naphthalen-2-ylphenyl)methylamino]-1,1-dioxothiane-4-carboxamide
SMILESO=C(NO)C1(NCc2ccc(-c3ccc4ccccc4c3)cc2)CCS(=O)(=O)CC1
InChIInChI=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)
InChIKeySJUPHKBFPMTTAD-UHFFFAOYSA-N
XLogP3.05
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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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).