2-[[4-(4-tert-butylphenyl)phenyl]methyl]-N-hydroxy-1,1-dioxothiazinane-3-carboxamide

C22H28N2O4S — CID 22341252

IUPAC2-[[4-(4-tert-butylphenyl)phenyl]methyl]-N-hydroxy-1,1-dioxothiazinane-3-carboxamide
SMILESCC(C)(C)c1ccc(-c2ccc(CN3C(C(=O)NO)CCCS3(=O)=O)cc2)cc1
InChIInChI=1S/C22H28N2O4S/c1-22(2,3)19-12-10-18(11-13-19)17-8-6-16(7-9-17)15-24-20(21(25)23-26)5-4-14-29(24,27)28/h6-13,20,26H,4-5,14-15H2,1-3H3,(H,23,25)
InChIKeyQAIMUZSIIGFZOG-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.45
Rot. Bonds4

About 2-[[4-(4-tert-butylphenyl)phenyl]methyl]-N-hydroxy-1,1-dioxothiazinane-3-carboxamide

2-[[4-(4-tert-butylphenyl)phenyl]methyl]-N-hydroxy-1,1-dioxothiazinane-3-carboxamide (PubChem CID 22341252) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is 2-[[4-(4-tert-butylphenyl)phenyl]methyl]-N-hydroxy-1,1-dioxothiazinane-3-carboxamide.

Molecular Properties

Compound Name2-[[4-(4-tert-butylphenyl)phenyl]methyl]-N-hydroxy-1,1-dioxothiazinane-3-carboxamide
PubChem CID22341252
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name2-[[4-(4-tert-butylphenyl)phenyl]methyl]-N-hydroxy-1,1-dioxothiazinane-3-carboxamide
SMILESCC(C)(C)c1ccc(-c2ccc(CN3C(C(=O)NO)CCCS3(=O)=O)cc2)cc1
InChIInChI=1S/C22H28N2O4S/c1-22(2,3)19-12-10-18(11-13-19)17-8-6-16(7-9-17)15-24-20(21(25)23-26)5-4-14-29(24,27)28/h6-13,20,26H,4-5,14-15H2,1-3H3,(H,23,25)
InChIKeyQAIMUZSIIGFZOG-UHFFFAOYSA-N
XLogP3.45
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[[4-(4-tert-butylphenyl)phenyl]methyl]-N-hydroxy-1,1-dioxothiazinane-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-tert-butylphenyl)phenyl]methyl]-N-hydroxy-1,1-dioxothiazinane-3-carboxamide?
The IUPAC name of 2-[[4-(4-tert-butylphenyl)phenyl]methyl]-N-hydroxy-1,1-dioxothiazinane-3-carboxamide (CID 22341252) is 2-[[4-(4-tert-butylphenyl)phenyl]methyl]-N-hydroxy-1,1-dioxothiazinane-3-carboxamide.
What is the SMILES notation for 2-[[4-(4-tert-butylphenyl)phenyl]methyl]-N-hydroxy-1,1-dioxothiazinane-3-carboxamide?
The canonical SMILES for 2-[[4-(4-tert-butylphenyl)phenyl]methyl]-N-hydroxy-1,1-dioxothiazinane-3-carboxamide is CC(C)(C)c1ccc(-c2ccc(CN3C(C(=O)NO)CCCS3(=O)=O)cc2)cc1.
What is the InChIKey of 2-[[4-(4-tert-butylphenyl)phenyl]methyl]-N-hydroxy-1,1-dioxothiazinane-3-carboxamide?
The InChIKey is QAIMUZSIIGFZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-22(2,3)19-12-10-18(11-13-19)17-8-6-16(7-9-17)15-24-20(21(25)23-26)5-4-14-29(24,27)28/h6-13,20,26H,4-5,14-15H2,1-3H3,(H,23,25).
What are the key properties of 2-[[4-(4-tert-butylphenyl)phenyl]methyl]-N-hydroxy-1,1-dioxothiazinane-3-carboxamide?
2-[[4-(4-tert-butylphenyl)phenyl]methyl]-N-hydroxy-1,1-dioxothiazinane-3-carboxamide has a molecular weight of 416.54 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-tert-butylphenyl)phenyl]methyl]-N-hydroxy-1,1-dioxothiazinane-3-carboxamide is sourced from PubChem (CID 22341252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).