N-(1,1-dioxido-2,3-dihydrothiophen-3-yl)-N-(4-phenoxyphenyl)acetamide , CAS No.342390-68-5

CAS: 342390-68-5 Cat. No.: N951363 Peso molecular: 343.400

Storage

Room temperature

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Nombres e identificadores

• Sonrisas canónicas: CC(=O)N(C1CS(=O)(=O)C=C1)C2=CC=C(C=C2)OC3=CC=CC=C3
• IUPAC Name: N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-phenoxyphenyl)acetamide
• InChIKey: YQGDWRXGZSREJA-UHFFFAOYSA-N
• INCHI: 1S/C18H17NO4S/c1-14(20)19(16-11-12-24(21,22)13-16)15-7-9-18(10-8-15)23-17-5-3-2-4-6-17/h2-12,16H,13H2,1H3
• Peso molecular: 343.400

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Diphenylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Diarylethers Acetanilides Phenoxy compounds Phenol ethers Tertiary carboxylic acid amides Sulfones Dihydrothiophenes Acetamides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - Acetanilide - Anilide - Phenoxy compound - Phenol ether - 2,3-dihydrothiophene - Sulfone - Tertiary carboxylic acid amide - Acetamide - Carboxamide group - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Carbonyl group - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Peso molecular: 343.400 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 343.088 Da
• Monoisotopic Mass: 343.088 Da
• Topological Polar Surface Area: 72.100 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 566.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1