N-hydroxy-2-methyl-2-methylsulfonyl-4-(5-phenyl-2-pyridinyl)butanamide

C17H20N2O4S — CID 51355300

IUPACN-hydroxy-2-methyl-2-methylsulfonyl-4-(5-phenyl-2-pyridinyl)butanamide
SMILESCC(CCc1ccc(-c2ccccc2)cn1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C17H20N2O4S/c1-17(16(20)19-21,24(2,22)23)11-10-15-9-8-14(12-18-15)13-6-4-3-5-7-13/h3-9,12,21H,10-11H2,1-2H3,(H,19,20)
InChIKeyLXZXBJSLOPFNQK-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.99
Rot. Bonds6

About N-hydroxy-2-methyl-2-methylsulfonyl-4-(5-phenyl-2-pyridinyl)butanamide

N-hydroxy-2-methyl-2-methylsulfonyl-4-(5-phenyl-2-pyridinyl)butanamide (PubChem CID 51355300) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-hydroxy-2-methyl-2-methylsulfonyl-4-(5-phenyl-2-pyridinyl)butanamide.

Molecular Properties

Compound NameN-hydroxy-2-methyl-2-methylsulfonyl-4-(5-phenyl-2-pyridinyl)butanamide
PubChem CID51355300
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-hydroxy-2-methyl-2-methylsulfonyl-4-(5-phenyl-2-pyridinyl)butanamide
SMILESCC(CCc1ccc(-c2ccccc2)cn1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C17H20N2O4S/c1-17(16(20)19-21,24(2,22)23)11-10-15-9-8-14(12-18-15)13-6-4-3-5-7-13/h3-9,12,21H,10-11H2,1-2H3,(H,19,20)
InChIKeyLXZXBJSLOPFNQK-UHFFFAOYSA-N
XLogP1.99
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.99
H-Bond Donors ≤ 52
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'}

Analyze N-hydroxy-2-methyl-2-methylsulfonyl-4-(5-phenyl-2-pyridinyl)butanamide 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 N-hydroxy-2-methyl-2-methylsulfonyl-4-(5-phenyl-2-pyridinyl)butanamide?
The IUPAC name of N-hydroxy-2-methyl-2-methylsulfonyl-4-(5-phenyl-2-pyridinyl)butanamide (CID 51355300) is N-hydroxy-2-methyl-2-methylsulfonyl-4-(5-phenyl-2-pyridinyl)butanamide.
What is the SMILES notation for N-hydroxy-2-methyl-2-methylsulfonyl-4-(5-phenyl-2-pyridinyl)butanamide?
The canonical SMILES for N-hydroxy-2-methyl-2-methylsulfonyl-4-(5-phenyl-2-pyridinyl)butanamide is CC(CCc1ccc(-c2ccccc2)cn1)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of N-hydroxy-2-methyl-2-methylsulfonyl-4-(5-phenyl-2-pyridinyl)butanamide?
The InChIKey is LXZXBJSLOPFNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-17(16(20)19-21,24(2,22)23)11-10-15-9-8-14(12-18-15)13-6-4-3-5-7-13/h3-9,12,21H,10-11H2,1-2H3,(H,19,20).
What are the key properties of N-hydroxy-2-methyl-2-methylsulfonyl-4-(5-phenyl-2-pyridinyl)butanamide?
N-hydroxy-2-methyl-2-methylsulfonyl-4-(5-phenyl-2-pyridinyl)butanamide has a molecular weight of 348.42 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-methyl-2-methylsulfonyl-4-(5-phenyl-2-pyridinyl)butanamide is sourced from PubChem (CID 51355300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).