3,4,5-triethoxy-N-(2-oxothiolan-3-yl)benzamide

HCID 3136358

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Basic information

CAS: 6018-50-4
Standard SMILES: CCOc1cc(C(=O)NC2CCSC2=O)cc(OCC)c1OCC
InChIKey: VZQVTEWWISIBJV-UHFFFAOYSA-N
Molecular formula: C17H23NO5S
Average molar mass: 353.4 g/mol
Monoisotopic mass: 353.12969401

Names & identifiers

Preferred name: 3,4,5-triethoxy-N-(2-oxothiolan-3-yl)benzamide
IUPAC: 3,4,5-triethoxy-N-(2-oxothiolan-3-yl)benzamide

Names & synonyms

3,4,5-triethoxy-N-(2-oxothiolan-3-yl)benzamideST0946213,4,5-triethoxy-N-(2-oxotetrahydrothiophen-3-yl)benzamideCBMicro_012396Oprea1_061848DTXSID30389678SMSF0011446STK024799AKOS000644278AKOS021795399CB15895BIM-0012445.P001

Show more names

SR-01000478694SR-01000478694-1N-(2-oxo(3-3,4,5-trihydrothienyl))(3,4,5-triethoxyphenyl)carboxamide

Database identifiers

CAS: 6018-50-4
PubChem CID: 3136358
DTXSID: DTXSID30389678

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 99.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 24
Formal charge: 0
Complexity: 417

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