1-[3-[[(2R)-1-Methyl-2-pyrrolidinyl]methyl]-5-[(1E)-2-(phenylsulfonyl)ethenyl]-1H-indol-1-yl]ethanone

C₂₄H₂₆N₂O₃SCAS 188113-71-5422.54 g/mol

Open in Covalent MOL file

Sulfone Tertiary Amine

Properties

Molecular formula: C₂₄H₂₆N₂O₃S
Molar mass: 422.54 g/mol
Exact mass: 422.1664 Da
logP: 4.38Crippen estimate
Polar surface area: 59.4 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 5

Identifiers

CAS number

188113-71-5

SMILES

CC(=O)n1cc(C[C@H]2CCCN2C)c2cc(/C=C/S(=O)(=O)c3ccccc3)ccc21

InChIKey

MDVODIFOKYRNHD-ZISLFAKRSA-N

InChI

InChI=1S/C24H26N2O3S/c1-18(27)26-17-20(16-21-7-6-13-25(21)2)23-15-19(10-11-24(23)26)12-14-30(28,29)22-8-4-3-5-9-22/h3-5,8-12,14-15,17,21H,6-7,13,16H2,1-2H3/b14-12+/t21-/m1/s1

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

Names and synonyms

3 names

Ethanone, 1-[3-[[(2R)-1-methyl-2-pyrrolidinyl]methyl]-5-[(1E)-2-(phenylsulfonyl)ethenyl]-1H-indol-1-yl]-
1H-Indole, 1-acetyl-3-[(1-methyl-2-pyrrolidinyl)methyl]-5-[2-(phenylsulfonyl)ethenyl]-, [R-(E)]-
1H-Indole, 1-acetyl-3-[[(2R)-1-methyl-2-pyrrolidinyl]methyl]-5-[(1E)-2-(phenylsulfonyl)ethenyl]-

Work with 1-[3-[[(2R)-1-Methyl-2-pyrrolidinyl]methyl]-5-[(1E)-2-(phenylsulfonyl)ethenyl]-1H-indol-1-yl]ethanone

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

Elsewhere

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