N-[3-(2-{1,1-dimethyl-3-[4-(5-methyl-thiophen-2-yl)-imidazol-1-yl]-propylamino}-1-hydroxy-ethyl)-phenyl]-benzenesulphonamide

HCID 11713402
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1ccc(-c2cn(CCC(C)(C)NCC(O)c3cccc(NS(=O)(=O)c4ccccc4)c3)cn2)s1
InChIKey
GXKDGKRGEANRKT-UHFFFAOYSA-N
Molecular formula
C27H32N4O3S2
Average molar mass
524.7 g/mol

Names & identifiers

Preferred name
N-[3-(2-{1,1-dimethyl-3-[4-(5-methyl-thiophen-2-yl)-imidazol-1-yl]-propylamino}-1-hydroxy-ethyl)-phenyl]-benzenesulphonamide
IUPAC
N-[3-[1-hydroxy-2-[[2-methyl-4-[4-(5-methylthiophen-2-yl)imidazol-1-yl]butan-2-yl]amino]ethyl]phenyl]benzenesulfonamide

Names & synonyms

SCHEMBL2202428GXKDGKRGEANRKT-UHFFFAOYSA-NN-[3-(2-{1,1-dimethyl-3-[4-(5-methyl-thiophen-2-yl)-imidazol-1-yl]-propylamino}-1-hydroxy-ethyl)-phenyl]-benzenesulphonamide

Database identifiers

PubChem CID
11713402

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
133 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
7
Rotatable bonds
11
Heavy atoms
36

Related reactions

1 records
New reaction record

Compound notes

Loading…