EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:112694 - N-(1,3-benzodioxol-5-ylmethyl)-2-[3-[oxo(thiophen-2-yl)methyl]-1-indolyl]acetamide

ChEBI IDCHEBI:112694
ChEBI NameN-(1,3-benzodioxol-5-ylmethyl)-2-[3-[oxo(thiophen-2-yl)methyl]-1-indolyl]acetamide
Stars
DownloadsMolfile
FormulaC23H18N2O4S
Net Charge0
Average Mass418.474
Monoisotopic Mass418.09873
SMILESO=C(Cn1cc(C(=O)c2cccs2)c2ccccc21)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C23H18N2O4S/c26-22(24-11-15-7-8-19-20(10-15)29-14-28-19)13-25-12-17(16-4-1-2-5-18(16)25)23(27)21-6-3-9-30-21/h1-10,12H,11,13-14H2,(H,24,26)
InChIKeyUCDCNUGIXHXJMX-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
N-(1,3-benzodioxol-5-ylmethyl)-2-[3-[oxo(thiophen-2-yl)methyl]-1-indolyl]acetamide (CHEBI:112694) is a indolyl carboxylic acid (CHEBI:46867)
Manual XrefsDatabases
LSM-24104LINCS