N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-pyrimidin-2-ylsulfanylacetamide
Basic information
- CAS
565191-31-3- Standard SMILES
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1ncccn1- InChIKey
WSUVGAZFAGSSJA-UHFFFAOYSA-N- Molecular formula
- C17H20N4O5S2
- Average molar mass
- 424.5 g/mol
- Monoisotopic mass
- 424.0875121
Names & identifiers
- Preferred name
- N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-pyrimidin-2-ylsulfanylacetamide
- IUPAC
- N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-pyrimidin-2-ylsulfanylacetamide
Names & synonyms
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-pyrimidin-2-ylsulfanylacetamideMLS002246461CHEMBL1705896DTXSID301332821HMS3094F10AKOS033614080565191-31-3SMR001310075Z18379867N-[2-Methoxy-5-(morpholine-4-sulfonyl)phenyl]-2-[(pyrimidin-2-yl)sulfanyl]acetamide
Database identifiers
- CAS
565191-31-3- PubChem CID
- 4456732
- DTXSID
DTXSID301332821- ChEMBL
CHEMBL1705896
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 603
Experimental & physicochemical properties
Solubility13.8 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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