N-[2-[(4-bromophenyl)methylsulfanyl]ethyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
Basic information
- CAS
5873-99-4- Standard SMILES
Cc1ccc(N(CC(=O)NCCSCc2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)cc1- InChIKey
GRSHJRLQNCTSBN-UHFFFAOYSA-N- Molecular formula
- C25H27BrN2O3S2
- Average molar mass
- 547.5 g/mol
- Monoisotopic mass
- 546.06465
Names & identifiers
- Preferred name
- N-[2-[(4-bromophenyl)methylsulfanyl]ethyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
- IUPAC
- N-[2-[(4-bromophenyl)methylsulfanyl]ethyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
Names & synonyms
STK0570805873-99-4N-{2-[(4-bromobenzyl)sulfanyl]ethyl}-N~2~-(4-methylphenyl)-N~2~-[(4-methylphenyl)sulfonyl]glycinamideDTXSID40366894AKOS000386283N-[2-[(4-bromophenyl)methylsulfanyl]ethyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamideN-(2-{[(4-Bromophenyl)methyl]sulfanyl}ethyl)-N~2~-(4-methylbenzene-1-sulfonyl)-N~2~-(4-methylphenyl)glycinamideN~1~-{2-[(4-bromobenzyl)thio]ethyl}-N~2~-(4-methylphenyl)-N~2~-[(4-methylphenyl)sulfonyl]glycinamide
Database identifiers
- CAS
5873-99-4- PubChem CID
- 2188134
- DTXSID
DTXSID40366894
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 691
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Compound notes
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