chempirical

4-Amino-N-((2R,3S)-3-amino-2-hydroxy-4-phenylbutyl)-N-isobutylbenzenesulfonamide

C20H29N3O3SCAS 169280-56-2391.53 g/mol

Open in Covalent MOL file
NHONH2SOONH2
AlcoholPrimary amineSulfonamide

Properties

Molecular formula
C20H29N3O3S
Molar mass
391.53 g/mol
Exact mass
391.1930 Da
logP
1.85Crippen estimate
Polar surface area
109.7 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
9
Stereocentres
R, Sin SMILES atom order

Identifiers

CAS number
169280-56-2
SMILES
CC(C)CN(C[C@@H](O)[C@@H](N)Cc1ccccc1)S(=O)(=O)c1ccc(N)cc1
InChIKey
NUMJNKDUHFCFJO-VQTJNVASSA-N
InChI
InChI=1S/C20H29N3O3S/c1-15(2)13-23(27(25,26)18-10-8-17(21)9-11-18)14-20(24)19(22)12-16-6-4-3-5-7-16/h3-11,15,19-20,24H,12-14,21-22H2,1-2H3/t19-,20+/m0/s1

Weigh it out

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

Names and synonyms

3 names
  • Benzenesulfonamide, 4-amino-N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)-
  • Benzenesulfonamide, 4-amino-N-(3-amino-2-hydroxy-4-phenylbutyl)-N-(2-methylpropyl)-, [R-(R*,S*)]-
  • 4-Amino-N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)benzenesulfonamide

Work with 4-Amino-N-((2R,3S)-3-amino-2-hydroxy-4-phenylbutyl)-N-isobutylbenzenesulfonamide

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

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

Elsewhere

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