Basic information
- Standard SMILES
CCN(CC)CCNC(=O)N(CCCCS(=O)(=O)c1ccccc1)C(C)C.O- InChIKey
FIKXBPIGXFOLNR-UHFFFAOYSA-N- Molecular formula
- C20H37N3O4S
- Average molar mass
- 415.6 g/mol
Names & identifiers
- Preferred name
- N'-[2-(Diethylamino)ethyl]-N-(1-methylethyl)-N-[4-(phenylsulfonyl)butyl]urea hydrate
- IUPAC
- 1-[4-(benzenesulfonyl)butyl]-3-[2-(diethylamino)ethyl]-1-propan-2-ylurea;hydrate
Names & synonyms
SCHEMBL10680580FIKXBPIGXFOLNR-UHFFFAOYSA-NN'-[2-(Diethylamino)ethyl]-N-(1-methylethyl)-N-[4-(phenylsulfonyl)butyl]urea hydrate
Database identifiers
- PubChem CID
- 20152850
Properties
Computed structural properties
- Topological polar surface area
- 79.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 507
Related reactions
1 records
Compound notes
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