(2R)-2-Methyl-2-(methylsulfonyl)-N-(tetrahydro-2H-pyran-2-yloxy)-4-[4'-(tetrahydro-2H-pyran-2-yloxy)biphenyl-4-yl]butanamide

HCID 86668786

Notes Reactions

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Basic information

Standard SMILES: C[C@@](CCc1ccc(-c2ccc(OC3CCCCO3)cc2)cc1)(C(=O)NOC1CCCCO1)S(C)(=O)=O
InChIKey: DHBMBXFFLHAMKG-XKHVUIRMSA-N
Molecular formula: C28H37NO7S
Average molar mass: 531.7 g/mol
Monoisotopic mass: 531.22907369

Names & identifiers

Preferred name: (2R)-2-Methyl-2-(methylsulfonyl)-N-(tetrahydro-2H-pyran-2-yloxy)-4-[4'-(tetrahydro-2H-pyran-2-yloxy)biphenyl-4-yl]butanamide
IUPAC: (2R)-2-methyl-2-methylsulfonyl-N-(oxan-2-yloxy)-4-[4-[4-(oxan-2-yloxy)phenyl]phenyl]butanamide

Names & synonyms

SCHEMBL5951DHBMBXFFLHAMKG-XKHVUIRMSA-N(2R)-2-Methyl-2-(methylsulfonyl)-N-(tetrahydro-2H-pyran-2-yloxy)-4-[4'-(tetrahydro-2H-pyran-2-yloxy)biphenyl-4-yl]butanamide

Database identifiers

PubChem CID: 86668786

Properties

Computed structural properties

XLogP: 4.9
Topological polar surface area: 109 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 10
Heavy atoms: 37
Formal charge: 0
Complexity: 815

Related reactions

1 records

New reaction record

HRID 533570As productuspto-grants-2014_10

Compound notes

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