[2-(N-methylanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
Basic information
- CAS
733043-50-0- Standard SMILES
CN(C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1- InChIKey
IKEJOCLIMCQSMX-UHFFFAOYSA-N- Molecular formula
- C20H22N2O6S
- Average molar mass
- 418.5 g/mol
- Monoisotopic mass
- 418.1198576
Names & identifiers
- Preferred name
- [2-(N-methylanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
- IUPAC
- [2-(N-methylanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
Names & synonyms
[2-(N-methylanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoateMLS002249466CHEMBL1877556DTXSID801332840HMS3092E16AKOS002481658733043-50-0SMR001316897Z187316092-[Methyl(phenyl)amino]-2-oxoethyl 4-(morpholine-4-sulfonyl)benzoate
Database identifiers
- CAS
733043-50-0- PubChem CID
- 2436486
- DTXSID
DTXSID801332840- ChEMBL
CHEMBL1877556
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 657
Experimental & physicochemical properties
Solubility15.8 [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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