N-[4-methoxy-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]acetamide
Basic information
- CAS
852032-57-6- Standard SMILES
COc1ccc(NC(C)=O)cc1S(=O)(=O)N1CC=C(c2ccccc2)CC1- InChIKey
CAVAYHZJGQXGBQ-UHFFFAOYSA-N- Molecular formula
- C20H22N2O4S
- Average molar mass
- 386.5 g/mol
- Monoisotopic mass
- 386.13002836
Names & identifiers
- Preferred name
- N-[4-methoxy-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]acetamide
- IUPAC
- N-[4-methoxy-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]acetamide
Names & synonyms
N-[4-methoxy-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]acetamideMLS002252685CHEMBL1867100DTXSID201332373HMS3057I11AKOS034367661852032-57-6SMR001315022Z45424429N-[4-Methoxy-3-(4-phenyl-3,6-dihydropyridine-1(2H)-sulfonyl)phenyl]acetamide
Database identifiers
- CAS
852032-57-6- PubChem CID
- 4885124
- DTXSID
DTXSID201332373- ChEMBL
CHEMBL1867100
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 84.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 649
Experimental & physicochemical properties
Solubility2.6 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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