Methyl (4-{[{4-[(4-butylphenyl)ethynyl]benzyl}(2-thienylsulfonyl)-amino]methyl}phenoxy)acetate

HCID 11699885

Basic information

Standard SMILES
CCCCc1ccc(C#Cc2ccc(CN(Cc3ccc(OCC(=O)OC)cc3)S(=O)(=O)c3cccs3)cc2)cc1
InChIKey
IERBFKSAWCSNPC-UHFFFAOYSA-N
Molecular formula
C33H33NO5S2
Average molar mass
587.8 g/mol

Names & identifiers

Preferred name
Methyl (4-{[{4-[(4-butylphenyl)ethynyl]benzyl}(2-thienylsulfonyl)-amino]methyl}phenoxy)acetate
IUPAC
methyl 2-[4-[[[4-[2-(4-butylphenyl)ethynyl]phenyl]methyl-thiophen-2-ylsulfonylamino]methyl]phenoxy]acetate

Names & synonyms

SCHEMBL12626737IERBFKSAWCSNPC-UHFFFAOYSA-Nmethyl (4-{[{4-[(4-butylphenyl)ethynyl]benzyl}(2-thienylsulfonyl)-amino]methyl}phenoxy)acetatemethyl (4-{[{4-[(4-butylphenyl)ethynyl]benzyl}(2-thienylsulfonyl)amino]-methyl}phenoxy)acetate

Database identifiers

PubChem CID
11699885

Properties

Computed structural properties

XLogP
7.9
Topological polar surface area
110 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
15
Heavy atoms
41

Related reactions

4 records

Compound notes

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