chempirical

(R)-N-(2-(1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl)-1,3-dioxoisoindolin-4-yl)acetamide

C22H24N2O7SCAS 608141-44-2460.50 g/mol

Open in Covalent MOL file
OSOONOOHNOO
AmideEtherLactamSulfone

Properties

Molecular formula
C22H24N2O7S
Molar mass
460.50 g/mol
Exact mass
460.1304 Da
logP
2.43Crippen estimate
Polar surface area
119.1 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
8
Stereocentres
Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
608141-44-2
SMILES
CCOC1=C(C=CC(=C1)[C@H](CS(=O)(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC
InChIKey
IMOZEMNVLZVGJZ-KRWDZBQOSA-N
InChI
InChI=1S/C22H24N2O7S/c1-5-31-19-11-14(9-10-18(19)30-3)17(12-32(4,28)29)24-21(26)15-7-6-8-16(23-13(2)25)20(15)22(24)27/h6-11,17H,5,12H2,1-4H3,(H,23,25)/t17-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with (R)-N-(2-(1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl)-1,3-dioxoisoindolin-4-yl)acetamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Apremilast608141-41-9Enantiomer

Similar compounds

1-(3-Ethoxy-4-methoxy-phenyl)-2-methanesulfonyl-ethylamine253168-94-447 % similar (S)-1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethanamine608141-42-047 % similar (S)-1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethylamine N-acetyl-L-leucine salt608141-43-140 % similar 1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl) ethanone1450657-28-940 % similar Methyl 4-acetamido-5-chloro-2-ethoxybenzoate4235-43-235 % similar 1,3-Dioxo-2-isoindolineaceticacid6296-53-333 % similar 3-Ethoxy-4-methoxybenzoic acid2651-55-032 % similar 4-Acetamido-5-chloro-2-methoxybenzoic acid24201-13-630 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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