2-[(3-Bromo-phenyl)-methanesulfonyl-amino]-N-isopropyl-acetamide
Basic information
- CAS
333448-12-7- Standard SMILES
CC(C)NC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O- InChIKey
SRPTWFGOVRACKO-UHFFFAOYSA-N- Molecular formula
- C12H17BrN2O3S
- Average molar mass
- 349.25 g/mol
- Monoisotopic mass
- 348.01433
Names & identifiers
- Preferred name
- 2-[(3-Bromo-phenyl)-methanesulfonyl-amino]-N-isopropyl-acetamide
- IUPAC
- 2-(3-bromo-N-methylsulfonylanilino)-N-propan-2-ylacetamide
Names & synonyms
333448-12-72-[(3-Bromo-phenyl)-methanesulfonyl-amino]-N-isopropyl-acetamide2-[(3-Bromophenyl)(methylsulfonyl)amino]-N-(1-methylethyl)acetamideSMR000011134MLS000029157MLS002535640CHEMBL1543289DTXSID401163265HMS2482D19STL121220AKOS000612057ST060520
Show more names
AG-690/15438981SR-01000310349SR-01000310349-12-[3-bromo(methylsulfonyl)anilino]-N-isopropylacetamide2-[(3-bromophenyl)(methylsulfonyl)amino]-N-(methylethyl)acetamideN~2~-(3-Bromophenyl)-N~2~-(methanesulfonyl)-N-propan-2-ylglycinamideN~2~-(3-bromophenyl)-N~2~-(methylsulfonyl)-N-propan-2-ylglycinamide
Database identifiers
- CAS
333448-12-7- PubChem CID
- 648701
- DTXSID
DTXSID401163265- ChEMBL
CHEMBL1543289
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 406
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Compound notes
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