2-(3-bromoadamantan-1-yl)-N-{3-[(3,4-dihydro-2H-pyrrol-5-yl)sulfamoyl]phenyl}acetamide
Basic information
- CAS
726153-08-8- Standard SMILES
O=C(CC12CC3CC(CC(Br)(C3)C1)C2)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1- InChIKey
CFJLLUBQRAAABF-UHFFFAOYSA-N- Molecular formula
- C22H28BrN3O3S
- Average molar mass
- 494.4 g/mol
- Monoisotopic mass
- 493.10348
Names & identifiers
- Preferred name
- 2-(3-bromoadamantan-1-yl)-N-{3-[(3,4-dihydro-2H-pyrrol-5-yl)sulfamoyl]phenyl}acetamide
- IUPAC
- 2-(3-bromo-1-adamantyl)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]acetamide
Names & synonyms
SMR000364223MLS000773531MLS003911506CHEMBL1576925DTXSID101111746HMS2737H15AKOS0340099663-Bromo-N-[3-[[(3,4-dihydro-2H-pyrrol-5-yl)amino]sulfonyl]phenyl]tricyclo[3.3.1.13,7]decane-1-acetamide726153-08-8Z274348922-(3-bromoadamantan-1-yl)-N-{3-[(3,4-dihydro-2H-pyrrol-5-yl)sulfamoyl]phenyl}acetamide
Database identifiers
- CAS
726153-08-8- PubChem CID
- 3344795
- DTXSID
DTXSID101111746- ChEMBL
CHEMBL1576925
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 96 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 823
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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