N-[3-(Methylsulfanyl)-2-oxoazetidin-3-yl]-2-phenoxyacetamide

HCID 20162876

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 88148-99-6
Standard SMILES: CSC1(NC(=O)COc2ccccc2)CNC1=O
InChIKey: IFLXMMYSGUUVOQ-UHFFFAOYSA-N
Molecular formula: C12H14N2O3S
Average molar mass: 266.32 g/mol
Monoisotopic mass: 266.07251349

Names & identifiers

Preferred name: N-[3-(Methylsulfanyl)-2-oxoazetidin-3-yl]-2-phenoxyacetamide
IUPAC: N-(3-methylsulfanyl-2-oxoazetidin-3-yl)-2-phenoxyacetamide

Names & synonyms

88148-99-6SCHEMBL10742843DTXSID20603173IFLXMMYSGUUVOQ-UHFFFAOYSA-NN-[3-(Methylsulfanyl)-2-oxoazetidin-3-yl]-2-phenoxyacetamide(3RS)-3-Methylthio-3-phenoxyacetamido-azetidin-2-one

Database identifiers

CAS: 88148-99-6
PubChem CID: 20162876
DTXSID: DTXSID20603173

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 92.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 18
Formal charge: 0
Complexity: 331

Related reactions

5 records

New reaction record

HRID 246861As productuspto-grants-1987_11

HRID 246862As reactantuspto-grants-1987_11

HRID 1113678As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1905652As reactantuspto-grants-1987_03

HRID 2118552As reactantuspto-grants-1987_07

Compound notes

Loading…