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2N5

Summary
Name:2-(4-fluorophenyl)-N-methyl-6-[(methylsulfonyl)amino]-5-(propan-2-yloxy)-1-benzofuran-3-carboxamide
Formula:C20 H21 F N2 O5 S
Formal charge:0
Formula weight:420.455 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-(4-fluorophenyl)-N-methyl-6-[(methylsulfonyl)amino]-5-(propan-2-yloxy)-1-benzofuran-3-carboxamide
OpenEye OEToolkits1.7.62-(4-fluorophenyl)-N-methyl-6-(methylsulfonylamino)-5-propan-2-yloxy-1-benzofuran-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(Nc3c(OC(C)C)cc1c(oc(c1C(=O)NC)c2ccc(F)cc2)c3)C
InChIInChI1.03InChI=1S/C20H21FN2O5S/c1-11(2)27-17-9-14-16(10-15(17)23-29(4,25)26)28-19(18(14)20(24)22-3)12-5-7-13(21)8-6-12/h5-11,23H,1-4H3,(H,22,24)
InChIKeyInChI1.03VBRUONUESYTIDA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CNC(=O)c1c(oc2cc(N[S](C)(=O)=O)c(OC(C)C)cc12)c3ccc(F)cc3
SMILESCACTVS3.385CNC(=O)c1c(oc2cc(N[S](C)(=O)=O)c(OC(C)C)cc12)c3ccc(F)cc3
SMILES_CANONICALOpenEye OEToolkits1.7.6CC(C)Oc1cc2c(cc1NS(=O)(=O)C)oc(c2C(=O)NC)c3ccc(cc3)F
SMILESOpenEye OEToolkits1.7.6CC(C)Oc1cc2c(cc1NS(=O)(=O)C)oc(c2C(=O)NC)c3ccc(cc3)F

246704

PDB entries from 2025-12-24

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