2-[(2-Amino-2-oxoethyl)sulfanyl]-2-phenylbutanamide
Basic information
- CAS
5453-52-1- Standard SMILES
CCC(SCC(N)=O)(C(N)=O)c1ccccc1- InChIKey
KTRYGOHIGFWGSZ-UHFFFAOYSA-N- Molecular formula
- C12H16N2O2S
- Average molar mass
- 252.33 g/mol
- Monoisotopic mass
- 252.09324893
Names & identifiers
- Preferred name
- 2-[(2-Amino-2-oxoethyl)sulfanyl]-2-phenylbutanamide
- IUPAC
- 2-(2-amino-2-oxoethyl)sulfanyl-2-phenylbutanamide
Names & synonyms
5453-52-12-(2-amino-2-oxoethyl)sulfanyl-2-phenylbutanamide2-[(2-amino-2-oxoethyl)sulfanyl]-2-phenylbutanamideNSC18716DTXSID90280798NSC-18716
Database identifiers
- CAS
5453-52-1- PubChem CID
- 227261
- DTXSID
DTXSID90280798
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 290
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…