N-(3-morpholin-4-ylsulfonylphenyl)adamantane-1-carboxamide
Basic information
- CAS
380435-49-4- Standard SMILES
O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C12CC3CC(CC(C3)C1)C2- InChIKey
QGBZLPRWLDHXOS-UHFFFAOYSA-N- Molecular formula
- C21H28N2O4S
- Average molar mass
- 404.5 g/mol
- Monoisotopic mass
- 404.17697855
Names & identifiers
- Preferred name
- N-(3-morpholin-4-ylsulfonylphenyl)adamantane-1-carboxamide
- IUPAC
- N-(3-morpholin-4-ylsulfonylphenyl)adamantane-1-carboxamide
Names & synonyms
N-(3-morpholin-4-ylsulfonylphenyl)adamantane-1-carboxamideMLS002249538CHEMBL1703607DTXSID301332752HMS3087H03AKOS034116938380435-49-4SMR001316966Z30000698N-[3-(morpholine-4-sulfonyl)phenyl]adamantane-1-carboxamide
Database identifiers
- CAS
380435-49-4- PubChem CID
- 4079458
- DTXSID
DTXSID301332752- ChEMBL
CHEMBL1703607
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 84.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 669
Experimental & physicochemical properties
Solubility2.2 [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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