Basic information
- CAS
1209616-88-5- Standard SMILES
CS(=O)(=O)c1ccccc1C(=O)NCc1ccc(N2CCOCC2)nc1- InChIKey
MWXBDLUIJCVNCI-UHFFFAOYSA-N- Molecular formula
- C18H21N3O4S
- Average molar mass
- 375.4 g/mol
- Monoisotopic mass
- 375.12527733
Names & identifiers
- Preferred name
- 2-(Methanesulfonyl)-N-{[6-(morpholin-4-yl)pyridin-3-yl]methyl}benzamide
- IUPAC
- 2-methylsulfonyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
Names & synonyms
DTXSID001156066AKOS033835124CCG-2834751209616-88-5Z2262155862-(Methanesulfonyl)-N-{[6-(morpholin-4-yl)pyridin-3-yl]methyl}benzamide2-(Methylsulfonyl)-N-[[6-(4-morpholinyl)-3-pyridinyl]methyl]benzamide
Database identifiers
- CAS
1209616-88-5- PubChem CID
- 31345274
- DTXSID
DTXSID001156066
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 97 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 571
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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