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

HCID 3136359

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Basic information

CAS: 57752-74-6
Standard SMILES: COc1cc(C(=O)NC2CCSC2=O)cc(OC)c1OC
InChIKey: BLGLSULLTLDOKM-UHFFFAOYSA-N
Molecular formula: C14H17NO5S
Average molar mass: 311.36 g/mol
Monoisotopic mass: 311.08274382

Names & identifiers

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

Names & synonyms

BAS 019370393,4,5-trimethoxy-N-(2-oxothiolan-3-yl)benzamide57752-74-6DTXSID903896793,4,5-trimethoxy-N-(2-oxotetrahydrothiophen-3-yl)benzamideSTL260215AKOS000644279AKOS021831096ST50258227N-(2-oxo(3-3,4,5-trihydrothienyl))(3,4,5-trimethoxyphenyl)carboxamide

Database identifiers

CAS: 57752-74-6
PubChem CID: 3136359
DTXSID: DTXSID90389679

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 99.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 21
Formal charge: 0
Complexity: 378

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