N-(1-Methylethyl)-N'-[2-[methyl(phenylmethyl)amino]ethyl]-N-[2-(phenylsulfonyl)ethyl]urea
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Basic information
- Standard SMILES
CC(C)N(CCS(=O)(=O)c1ccccc1)C(=O)NCCN(C)Cc1ccccc1- InChIKey
PVVCTJIBTXBGGL-UHFFFAOYSA-N- Molecular formula
- C22H31N3O3S
- Average molar mass
- 417.6 g/mol
Names & identifiers
- Preferred name
- N-(1-Methylethyl)-N'-[2-[methyl(phenylmethyl)amino]ethyl]-N-[2-(phenylsulfonyl)ethyl]urea
- IUPAC
- 1-[2-(benzenesulfonyl)ethyl]-3-[2-[benzyl(methyl)amino]ethyl]-1-propan-2-ylurea
Names & synonyms
SCHEMBL10685323PVVCTJIBTXBGGL-UHFFFAOYSA-NN-(1-Methylethyl)-N'-[2-[methyl(phenylmethyl)amino]ethyl]-N-[2-(phenylsulfonyl)ethyl]urea
Database identifiers
- PubChem CID
- 20152874
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 577
Related reactions
3 records
Compound notes
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