Basic information
- CAS
105596-07-4- Standard SMILES
O=C(CCSCCC(=O)NCc1ccccc1)NCc1ccccc1- InChIKey
AYQMPZWLCZDJEJ-UHFFFAOYSA-N- Molecular formula
- C20H24N2O2S
- Average molar mass
- 356.5 g/mol
- Monoisotopic mass
- 356.15584919
Names & identifiers
- Preferred name
- Propanamide, 3,3'-thiobis[N-(phenylmethyl)-
- IUPAC
- N-benzyl-3-[3-(benzylamino)-3-oxopropyl]sulfanylpropanamide
Names & synonyms
Propanamide, 3,3'-thiobis[N-(phenylmethyl)-105596-07-43,3'-thiobis(N-benzylpropanamide)3,3'-sulfanediylbis(N-benzylpropanamide)N-benzyl-3-[3-(benzylamino)-3-oxopropyl]sulfanylpropanamideSMR000140115CBDivE_002538MLS000532677CHEMBL1542688SCHEMBL15678807DTXSID00340155AYQMPZWLCZDJEJ-UHFFFAOYSA-N
Show more names
HMS2469K11HTS03388AKOS001700289ST4011326Dipropylsulfide, 3,3'-bis(benzylamino)-3,3'-dioxo-N-benzyl-3-{2-[N-benzylcarbamoyl]ethylthio}propanamide
Database identifiers
- CAS
105596-07-4- PubChem CID
- 562133
- DTXSID
DTXSID00340155- ChEMBL
CHEMBL1542688
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 83.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 355
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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