Acetamide, N-(2-(diethylamino)ethyl)-2-(thymyloxy)-, mono-p-toluenesulfonate

HCID 208474

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Basic information

CAS: 32305-22-9
Standard SMILES: CCN(CC)CCNC(=O)COc1cc(C)ccc1C(C)C.Cc1ccc(S(=O)(=O)O)cc1
InChIKey: LUZMYRZQOMVJCU-UHFFFAOYSA-N
Molecular formula: C25H38N2O5S
Average molar mass: 478.6 g/mol
Monoisotopic mass: 478.25014349

Names & identifiers

Preferred name: Acetamide, N-(2-(diethylamino)ethyl)-2-(thymyloxy)-, mono-p-toluenesulfonate
IUPAC: N-[2-(diethylamino)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide;4-methylbenzenesulfonic acid

Names & synonyms

T 2443Acetamide, N-(2-(diethylamino)ethyl)-2-(thymyloxy)-, mono-p-toluenesulfonate32305-22-9RefChem:315033AK-5SCHEMBL29360459DTXSID20954096N-[2-(Diethylamino)ethyl]-2-[5-methyl-2-(propan-2-yl)phenoxy]ethanimidic acid--4-methylbenzene-1-sulfonic acid (1/1)N-[2-(Diethylamino)ethyl][5-methyl-2-(propan-2-yl)phenoxy]ethanimidic acid--4-methylbenzene-1-sulfonic acid (1/1)

Database identifiers

CAS: 32305-22-9
PubChem CID: 208474
DTXSID: DTXSID20954096

Properties

Computed structural properties

Topological polar surface area: 104 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 10
Heavy atoms: 33
Formal charge: 0
Complexity: 523

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