Summary

IMPPAT Phytochemical identifier: IMPHY000984

Phytochemical name: 5-Methoxy-N-[(5-Methylpyridin-2-Yl)sulfonyl]-1h-Indole-2-Carboxamide

Synonymous chemical names:
fg2

External chemical identifiers:
CID:44229000, ChEMBL:CHEMBL1232723, ZINC:ZINC000058631901

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Chemical structure information

SMILES:
COc1ccc2c(c1)cc([nH]2)C(=O)NS(=O)(=O)c1ccc(cn1)C

InChI:
InChI=1S/C16H15N3O4S/c1-10-3-6-15(17-9-10)24(21,22)19-16(20)14-8-11-7-12(23-2)4-5-13(11)18-14/h3-9,18H,1-2H3,(H,19,20)

InChIKey:
ZKUFSBNJBIOKLO-UHFFFAOYSA-N

DeepSMILES:
COcccccc6)cc[nH]5)C=O)NS=O)=O)cccccn6))C

Functional groups:
cC(=O)NS(c)(=O)=O, cOC, c[nH]c, cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(NS(=O)(=O)c1ccccn1)c1cc2ccccc2[nH]1

Scaffold Graph/Node level:
OC(NS(O)(O)C1CCCCN1)C1CC2CCCCC2N1

Scaffold Graph level:
CC(CC(C)(C)C1CCCCC1)C1CC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Indoles and derivatives

ClassyFire Subclass: Indolecarboxylic acids and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Carboline alkaloids

NP-Likeness score: -1.186

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Chemical structure download