chempirical

Dronedarone

C31H44N2O5SCAS 141626-36-0556.76 g/mol

Open in Covalent MOL file
ONHSOOOON
EtherKetoneSulfonamideTertiary amine

Properties

Molecular formula
C31H44N2O5S
Molar mass
556.76 g/mol
Exact mass
556.2971 Da
logP
7.05Crippen estimate
Polar surface area
88.8 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
18

Identifiers

CAS number
141626-36-0
SMILES
CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
InChIKey
ZQTNQVWKHCQYLQ-UHFFFAOYSA-N
InChI
InChI=1S/C31H44N2O5S/c1-5-8-12-29-30(27-23-25(32-39(4,35)36)15-18-28(27)38-29)31(34)24-13-16-26(17-14-24)37-22-11-21-33(19-9-6-2)20-10-7-3/h13-18,23,32H,5-12,19-22H2,1-4H3

Weigh it out

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

Names and synonyms

6 names
  • Methanesulfonamide, N-[2-butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]-5-benzofuranyl]-
  • N-[2-Butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]-5-benzofuranyl]methanesulfonamide
  • SR 33589
  • SR 33589B
  • N-[2-Butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]benzofuran-5-yl]methanesulfonamide
  • N-[2-Butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]benzo[b]furan-5-yl]methanesulfonamide

Work with Dronedarone

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

Similar compounds

2-Butyl-3-(4-(3-(dibutylamino)propoxy)benzoyl)-5-nitrobenzofuran141645-23-068 % similar Methanone, (5-amino-2-butyl-3-benzofuranyl)[4-[3-(dibutylamino)propoxy]phenyl]-, ethanedioate (1:2)500791-70-866 % similar Amiodarone1951-25-345 % similar 2-(N-Butyl)-3-(4-hydroxybenzoyl)-5-nitrobenzofuran141645-16-144 % similar Amiodarone hydrochloride19774-82-444 % similar 2-Butyl-3-(4-hydroxybenzoyl)benzofuran52490-15-043 % similar Dyclonine586-60-740 % similar (2-Butyl-3-benzofuranyl)(4-hydroxy-3,5-diiodophenyl)methanone1951-26-438 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook