n,n'-(Sulfonyldibenzene-4,1-diyl)bis[2-(3,5-dimethylmorpholin-4-yl)acetamide]

HCID 267451

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Basic information

CAS: 34045-08-4
Standard SMILES: CC1COCC(C)N1CC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)CN3C(C)COCC3C)cc2)cc1
InChIKey: QVGHCTDLXSPMIS-UHFFFAOYSA-N
Molecular formula: C28H38N4O6S
Average molar mass: 558.7 g/mol
Monoisotopic mass: 558.25120612

Names & identifiers

Preferred name: n,n'-(Sulfonyldibenzene-4,1-diyl)bis[2-(3,5-dimethylmorpholin-4-yl)acetamide]
IUPAC: 2-(3,5-dimethylmorpholin-4-yl)-N-[4-[4-[[2-(3,5-dimethylmorpholin-4-yl)acetyl]amino]phenyl]sulfonylphenyl]acetamide

Names & synonyms

34045-08-4n,n'-(sulfonyldibenzene-4,1-diyl)bis[2-(3,5-dimethylmorpholin-4-yl)acetamide]NSC106702DTXSID80295997NSC-106702N,N'-[Sulfonyldi(4,1-phenylene)]bis[2-(3,5-dimethylmorpholin-4-yl)acetamide]

Database identifiers

CAS: 34045-08-4
PubChem CID: 267451
DTXSID: DTXSID80295997

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 126 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 8
Heavy atoms: 39
Formal charge: 0
Complexity: 839

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