N-(3,4-Dihydro-2,2-dimethyl-2H-1-benzopyran-4-yl)-2-[(3-ethoxyphenyl)(methylsulfonyl)amino]acetamide
Basic information
- CAS
1090291-65-8- Standard SMILES
CCOc1cccc(N(CC(=O)NC2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)c1- InChIKey
XKWYBYDDYZNIHV-UHFFFAOYSA-N- Molecular formula
- C22H28N2O5S
- Average molar mass
- 432.5 g/mol
- Monoisotopic mass
- 432.17189317
Names & identifiers
- Preferred name
- N-(3,4-Dihydro-2,2-dimethyl-2H-1-benzopyran-4-yl)-2-[(3-ethoxyphenyl)(methylsulfonyl)amino]acetamide
- IUPAC
- N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(3-ethoxy-N-methylsulfonylanilino)acetamide
Names & synonyms
DTXSID4011135531090291-65-8N-(3,4-Dihydro-2,2-dimethyl-2H-1-benzopyran-4-yl)-2-[(3-ethoxyphenyl)(methylsulfonyl)amino]acetamideN-(2,2-Dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-N~2~-(3-ethoxyphenyl)-N~2~-(methanesulfonyl)glycinamide
Database identifiers
- CAS
1090291-65-8- PubChem CID
- 43901136
- DTXSID
DTXSID401113553
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 93.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 690
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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