N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[[4-(trifluoromethyl)phenoxy]methyl]triazol-1-yl]butanamide

C16H19F3N4O5S — CID 66558039

IUPACN-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[[4-(trifluoromethyl)phenoxy]methyl]triazol-1-yl]butanamide
SMILESCC(CCn1cc(COc2ccc(C(F)(F)F)cc2)nn1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C16H19F3N4O5S/c1-15(14(24)21-25,29(2,26)27)7-8-23-9-12(20-22-23)10-28-13-5-3-11(4-6-13)16(17,18)19/h3-6,9,25H,7-8,10H2,1-2H3,(H,21,24)
InChIKeyWJWNICHAISJOOM-UHFFFAOYSA-N
MW436.41 g/mol
LogP1.57
Rot. Bonds8

About N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[[4-(trifluoromethyl)phenoxy]methyl]triazol-1-yl]butanamide

N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[[4-(trifluoromethyl)phenoxy]methyl]triazol-1-yl]butanamide (PubChem CID 66558039) has the molecular formula C16H19F3N4O5S and a molecular weight of 436.41 g/mol. Its IUPAC name is N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[[4-(trifluoromethyl)phenoxy]methyl]triazol-1-yl]butanamide.

Molecular Properties

Compound NameN-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[[4-(trifluoromethyl)phenoxy]methyl]triazol-1-yl]butanamide
PubChem CID66558039
Molecular FormulaC16H19F3N4O5S
Molecular Weight436.41 g/mol
Exact Mass436.10
IUPAC NameN-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[[4-(trifluoromethyl)phenoxy]methyl]triazol-1-yl]butanamide
SMILESCC(CCn1cc(COc2ccc(C(F)(F)F)cc2)nn1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C16H19F3N4O5S/c1-15(14(24)21-25,29(2,26)27)7-8-23-9-12(20-22-23)10-28-13-5-3-11(4-6-13)16(17,18)19/h3-6,9,25H,7-8,10H2,1-2H3,(H,21,24)
InChIKeyWJWNICHAISJOOM-UHFFFAOYSA-N
XLogP1.57
TPSA123.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.41
LogP ≤ 51.57
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 N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[[4-(trifluoromethyl)phenoxy]methyl]triazol-1-yl]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-[4-[[4-(trifluoromethyl)phenoxy]methyl]triazol-1-yl]butanamide?
The IUPAC name of N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[[4-(trifluoromethyl)phenoxy]methyl]triazol-1-yl]butanamide (CID 66558039) is N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[[4-(trifluoromethyl)phenoxy]methyl]triazol-1-yl]butanamide.
What is the SMILES notation for N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[[4-(trifluoromethyl)phenoxy]methyl]triazol-1-yl]butanamide?
The canonical SMILES for N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[[4-(trifluoromethyl)phenoxy]methyl]triazol-1-yl]butanamide is CC(CCn1cc(COc2ccc(C(F)(F)F)cc2)nn1)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[[4-(trifluoromethyl)phenoxy]methyl]triazol-1-yl]butanamide?
The InChIKey is WJWNICHAISJOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O5S/c1-15(14(24)21-25,29(2,26)27)7-8-23-9-12(20-22-23)10-28-13-5-3-11(4-6-13)16(17,18)19/h3-6,9,25H,7-8,10H2,1-2H3,(H,21,24).
What are the key properties of N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[[4-(trifluoromethyl)phenoxy]methyl]triazol-1-yl]butanamide?
N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[[4-(trifluoromethyl)phenoxy]methyl]triazol-1-yl]butanamide has a molecular weight of 436.41 g/mol, XLogP of 1.57, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[[4-(trifluoromethyl)phenoxy]methyl]triazol-1-yl]butanamide is sourced from PubChem (CID 66558039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).