CHEBI:91844 - 2-(N-(2-chloro-1-oxoethyl)-4-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-(N-(2-chloro-1-oxoethyl)-4-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide
ChEBI ID CHEBI:91844
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C23H23ClN2O3S
Net Charge 0
Average Mass 442.960
Monoisotopic Mass 442.11179
InChI InChI=1S/C23H23ClN2O3S/c1-29-19-11-9-18(10-12-19)26(21(27)16-24)22(20-8-5-15-30-20)23(28)25-14-13-17-6-3-2-4-7-17/h2-12,15,22H,13-14,16H2,1H3,(H,25,28)
InChIKey STXBWZSVEOQYLQ-UHFFFAOYSA-N
SMILES COC1=CC=C(C=C1)N(C(C2=CC=CS2)C(=O)NCCC3=CC=CC=C3)C(=O)CCl
ChEBI Ontology
Outgoing 2-(N-(2-chloro-1-oxoethyl)-4-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide (CHEBI:91844) has functional parent α-amino acid (CHEBI:33704)
2-(N-(2-chloro-1-oxoethyl)-4-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide (CHEBI:91844) is a organonitrogen compound (CHEBI:35352)
2-(N-(2-chloro-1-oxoethyl)-4-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide (CHEBI:91844) is a organooxygen compound (CHEBI:36963)
Manual Xref Database
LSM-1763 LINCS
View more database links