Basic information
- Standard SMILES
CCOC(=O)CSCC(=O)Nc1c(C(C)C)cccc1C(C)C- InChIKey
MYYLMFDQFRFRNO-UHFFFAOYSA-N- Molecular formula
- C18H27NO3S
- Average molar mass
- 337.5 g/mol
Names & identifiers
- Preferred name
- N-(2,6-diisopropylphenyl)-2-(ethoxycarbonylmethylthio)acetamide
- IUPAC
- ethyl 2-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]sulfanylacetate
Names & synonyms
SCHEMBL9136766MYYLMFDQFRFRNO-UHFFFAOYSA-NAKOS002480286SR-01000063434SR-01000063434-1Z18535511N-(2,6-diisopropylphenyl)-2-(ethoxycarbonylmethylthio)acetamide
Database identifiers
- PubChem CID
- 2468543
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 368
Related reactions
2 records
Compound notes
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