5-Methyl-pyridine-2-sulfonic acid {5-(2-methoxy-phenoxy)-2-pyridin-4-yl-6-[2-(toluene-4-sulfonylamino)-ethoxy]-pyrimidin-4-yl}-amide

HCID 18184249
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(-c2ccncc2)nc1OCCNS(=O)(=O)c1ccc(C)cc1
InChIKey
NIUISTMMHSJGFT-UHFFFAOYSA-N
Molecular formula
C31H30N6O7S2
Average molar mass
662.7 g/mol

Names & identifiers

Preferred name
5-Methyl-pyridine-2-sulfonic acid {5-(2-methoxy-phenoxy)-2-pyridin-4-yl-6-[2-(toluene-4-sulfonylamino)-ethoxy]-pyrimidin-4-yl}-amide
IUPAC
N-[5-(2-methoxyphenoxy)-6-[2-[(4-methylphenyl)sulfonylamino]ethoxy]-2-pyridin-4-ylpyrimidin-4-yl]-5-methylpyridine-2-sulfonamide

Names & synonyms

CHEMBL366628SCHEMBL7197922NIUISTMMHSJGFT-UHFFFAOYSA-NBDBM501244225-methyl-N-[6-(2-(4-methylbenzenesulfonylamino)-ethoxy)-5-(o-methoxyphenoxy)-2-(4-pyridyl)-4-pyrimidinyl]-2-pyridine sulfonamide5-Methyl-pyridine-2-sulfonic acid {5-(2-methoxy-phenoxy)-2-pyridin-4-yl-6-[2-(toluene-4-sulfonylamino)-ethoxy]-pyrimidin-4-yl}-amide

Database identifiers

PubChem CID
18184249
ChEMBL
CHEMBL366628
Nikkaji
J2.007.381K

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
188 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
13
Rotatable bonds
13
Heavy atoms
46

Related reactions

2 records
New reaction record

Linked notes

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