3-(benzenesulfinyl)-N-tert-butyl-N-(furan-3-ylmethyl)prop-2-enamide
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Basic information
- Standard SMILES
CC(C)(C)N(Cc1ccoc1)C(=O)C=CS(=O)c1ccccc1- InChIKey
MKDWGGNLDHEQMB-UHFFFAOYSA-N- Molecular formula
- C18H21NO3S
- Average molar mass
- 331.4 g/mol
- Monoisotopic mass
- 331.12421471
Names & identifiers
- Preferred name
- 3-(benzenesulfinyl)-N-tert-butyl-N-(furan-3-ylmethyl)prop-2-enamide
- IUPAC
- 3-(benzenesulfinyl)-N-tert-butyl-N-(furan-3-ylmethyl)prop-2-enamide
Names & synonyms
NCI60_037634
Database identifiers
- PubChem CID
- 397479
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 450
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Compound notes
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