(2R)-4-[4-(2-fluoro-4-methoxyphenyl)triazol-1-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

C15H19FN4O5S — CID 66557945

IUPAC(2R)-4-[4-(2-fluoro-4-methoxyphenyl)triazol-1-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCOc1ccc(-c2cn(CC[C@](C)(C(=O)NO)S(C)(=O)=O)nn2)c(F)c1
InChIInChI=1S/C15H19FN4O5S/c1-15(14(21)18-22,26(3,23)24)6-7-20-9-13(17-19-20)11-5-4-10(25-2)8-12(11)16/h4-5,8-9,22H,6-7H2,1-3H3,(H,18,21)/t15-/m1/s1
InChIKeyYFZPUFYXZVVJGS-OAHLLOKOSA-N
MW386.41 g/mol
LogP0.79
Rot. Bonds7

About (2R)-4-[4-(2-fluoro-4-methoxyphenyl)triazol-1-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

(2R)-4-[4-(2-fluoro-4-methoxyphenyl)triazol-1-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 66557945) has the molecular formula C15H19FN4O5S and a molecular weight of 386.41 g/mol. Its IUPAC name is (2R)-4-[4-(2-fluoro-4-methoxyphenyl)triazol-1-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name(2R)-4-[4-(2-fluoro-4-methoxyphenyl)triazol-1-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
PubChem CID66557945
Molecular FormulaC15H19FN4O5S
Molecular Weight386.41 g/mol
Exact Mass386.11
IUPAC Name(2R)-4-[4-(2-fluoro-4-methoxyphenyl)triazol-1-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCOc1ccc(-c2cn(CC[C@](C)(C(=O)NO)S(C)(=O)=O)nn2)c(F)c1
InChIInChI=1S/C15H19FN4O5S/c1-15(14(21)18-22,26(3,23)24)6-7-20-9-13(17-19-20)11-5-4-10(25-2)8-12(11)16/h4-5,8-9,22H,6-7H2,1-3H3,(H,18,21)/t15-/m1/s1
InChIKeyYFZPUFYXZVVJGS-OAHLLOKOSA-N
XLogP0.79
TPSA123.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (2R)-4-[4-(2-fluoro-4-methoxyphenyl)triazol-1-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide 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 (2R)-4-[4-(2-fluoro-4-methoxyphenyl)triazol-1-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of (2R)-4-[4-(2-fluoro-4-methoxyphenyl)triazol-1-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 66557945) is (2R)-4-[4-(2-fluoro-4-methoxyphenyl)triazol-1-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for (2R)-4-[4-(2-fluoro-4-methoxyphenyl)triazol-1-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for (2R)-4-[4-(2-fluoro-4-methoxyphenyl)triazol-1-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is COc1ccc(-c2cn(CC[C@](C)(C(=O)NO)S(C)(=O)=O)nn2)c(F)c1.
What is the InChIKey of (2R)-4-[4-(2-fluoro-4-methoxyphenyl)triazol-1-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is YFZPUFYXZVVJGS-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H19FN4O5S/c1-15(14(21)18-22,26(3,23)24)6-7-20-9-13(17-19-20)11-5-4-10(25-2)8-12(11)16/h4-5,8-9,22H,6-7H2,1-3H3,(H,18,21)/t15-/m1/s1.
What are the key properties of (2R)-4-[4-(2-fluoro-4-methoxyphenyl)triazol-1-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
(2R)-4-[4-(2-fluoro-4-methoxyphenyl)triazol-1-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 386.41 g/mol, XLogP of 0.79, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[4-(2-fluoro-4-methoxyphenyl)triazol-1-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 66557945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).