N-{[3-(3-hydroxypyrrolidin-1-yl)propyl](oxido)phenyl--sulfanylidene}-5-({3-[(3-methyl-2-furoyl)amino]phenyl}ethynyl)nicotinamide

HCID 76585236
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1ccoc1C(=O)Nc1cccc(C#Cc2cncc(C(=O)N=S(=O)(CCCN3CCC(O)C3)c3ccccc3)c2)c1
InChIKey
LOPUAELUDJZMGJ-UHFFFAOYSA-N
Molecular formula
C33H32N4O5S
Average molar mass
596.7 g/mol
Monoisotopic mass
596.20934131

Names & identifiers

Preferred name
N-{[3-(3-hydroxypyrrolidin-1-yl)propyl](oxido)phenyl--sulfanylidene}-5-({3-[(3-methyl-2-furoyl)amino]phenyl}ethynyl)nicotinamide
IUPAC
N-[3-(3-hydroxypyrrolidin-1-yl)propyl-oxo-phenyl-lambda6-sulfanylidene]-5-[2-[3-[(3-methylfuran-2-carbonyl)amino]phenyl]ethynyl]pyridine-3-carboxamide

Names & synonyms

SCHEMBL836142LOPUAELUDJZMGJ-UHFFFAOYSA-NN-{[3-(3-hydroxypyrrolidin-1-yl)propyl](oxido)phenyl--sulfanylidene}-5-({3-[(3-methyl-2-furoyl)amino]phenyl}ethynyl)nicotinamide

Database identifiers

PubChem CID
76585236

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
133 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
10
Heavy atoms
43

Related reactions

1 records
New reaction record

Compound notes

Loading…