1-[[4-[2-(acetylsulfamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(2-bromophenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(2-methylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(4-methylsulfonylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(2-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]-1-[[4-(2-sulfamoylphenyl)phenyl]methyl]indole-5-carboxamide;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(4-propylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(4-ethoxyphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2-ethylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid

C349H338BrF3N22O36S3 — CID 160517039

IUPAC1-[[4-[2-(acetylsulfamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(2-bromophenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(2-methylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(4-methylsulfonylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(2-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]-1-[[4-(2-sulfamoylphenyl)phenyl]methyl]indole-5-carboxamide;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(4-propylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(4-ethoxyphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2-ethylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid
SMILESCC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(C)c(C)c3cc(C(=O)N[C@@H](C)c4cccc(C(C)C)c4)ccc32)cc1.CCCc1ccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C(=O)O)cc2)cc1.CCOc1ccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C(=O)O)cc2)cc1.CCc1ccccc1[C@H](C)NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2C(=O)O)cc1.Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3ccccc3Br)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3ccccc3OC(C)C)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3ccccc3OC(F)(F)F)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12.Cc1ccccc1[C@H](C)NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2C(=O)O)cc1
InChIInChI=1S/C37H39N3O4S.C36H36N2O4.C36H36N2O3.C35H37N3O3S.C35H34N2O4.C35H34N2O3.C34H29F3N2O4.C34H32N2O5S.C34H32N2O3.C33H29BrN2O3/c1-23(2)30-10-9-11-31(20-30)25(4)38-37(42)32-18-19-35-34(21-32)24(3)26(5)40(35)22-28-14-16-29(17-15-28)33-12-7-8-13-36(33)45(43,44)39-27(6)41;1-22(2)42-34-13-9-8-10-29(34)24(4)37-35(39)28-18-19-33-32(20-28)23(3)25(5)38(33)21-26-14-16-27(17-15-26)30-11-6-7-12-31(30)36(40)41;1-5-8-26-11-15-28(16-12-26)24(3)37-35(39)30-19-20-34-33(21-30)23(2)25(4)38(34)22-27-13-17-29(18-14-27)31-9-6-7-10-32(31)36(40)41;1-22(2)28-9-8-10-29(19-28)24(4)37-35(39)30-17-18-33-32(20-30)23(3)25(5)38(33)21-26-13-15-27(16-14-26)31-11-6-7-12-34(31)42(36,40)41;1-5-41-29-17-14-26(15-18-29)23(3)36-34(38)28-16-19-33-32(20-28)22(2)24(4)37(33)21-25-10-12-27(13-11-25)30-8-6-7-9-31(30)35(39)40;1-5-26-10-6-7-11-29(26)23(3)36-34(38)28-18-19-33-32(20-28)22(2)24(4)37(33)21-25-14-16-27(17-15-25)30-12-8-9-13-31(30)35(39)40;1-20-22(3)39(19-23-12-14-24(15-13-23)27-9-4-5-10-28(27)33(41)42)30-17-16-25(18-29(20)30)32(40)38-21(2)26-8-6-7-11-31(26)43-34(35,36)37;1-21-23(3)36(20-24-9-11-26(12-10-24)29-7-5-6-8-30(29)34(38)39)32-18-15-27(19-31(21)32)33(37)35-22(2)25-13-16-28(17-14-25)42(4,40)41;1-21-9-5-6-10-28(21)23(3)35-33(37)27-17-18-32-31(19-27)22(2)24(4)36(32)20-25-13-15-26(16-14-25)29-11-7-8-12-30(29)34(38)39;1-20-22(3)36(19-23-12-14-24(15-13-23)27-9-4-5-10-28(27)33(38)39)31-17-16-25(18-29(20)31)32(37)35-21(2)26-8-6-7-11-30(26)34/h7-21,23,25H,22H2,1-6H3,(H,38,42)(H,39,41);6-20,22,24H,21H2,1-5H3,(H,37,39)(H,40,41);6-7,9-21,24H,5,8,22H2,1-4H3,(H,37,39)(H,40,41);6-20,22,24H,21H2,1-5H3,(H,37,39)(H2,36,40,41);6-20,23H,5,21H2,1-4H3,(H,36,38)(H,39,40);6-20,23H,5,21H2,1-4H3,(H,36,38)(H,39,40);4-18,21H,19H2,1-3H3,(H,38,40)(H,41,42);5-19,22H,20H2,1-4H3,(H,35,37)(H,38,39);5-19,23H,20H2,1-4H3,(H,35,37)(H,38,39);4-18,21H,19H2,1-3H3,(H,35,37)(H,38,39)/t25-;3*24-;2*23-;21-;22-;23-;21-/m0000000000/s1
InChIKeyQTUFJIDRPGBQBQ-JPRNKFTESA-N
MW5649.76 g/mol
LogP76.02
Rot. Bonds82

About 1-[[4-[2-(acetylsulfamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(2-bromophenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(2-methylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(4-methylsulfonylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(2-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]-1-[[4-(2-sulfamoylphenyl)phenyl]methyl]indole-5-carboxamide;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(4-propylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(4-ethoxyphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2-ethylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid

1-[[4-[2-(acetylsulfamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(2-bromophenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(2-methylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(4-methylsulfonylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(2-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]-1-[[4-(2-sulfamoylphenyl)phenyl]methyl]indole-5-carboxamide;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(4-propylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(4-ethoxyphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2-ethylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid (PubChem CID 160517039) has the molecular formula C349H338BrF3N22O36S3 and a molecular weight of 5649.76 g/mol. Its IUPAC name is 1-[[4-[2-(acetylsulfamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(2-bromophenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(2-methylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(4-methylsulfonylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(2-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]-1-[[4-(2-sulfamoylphenyl)phenyl]methyl]indole-5-carboxamide;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(4-propylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(4-ethoxyphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2-ethylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid.

Molecular Properties

Compound Name1-[[4-[2-(acetylsulfamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(2-bromophenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(2-methylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(4-methylsulfonylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(2-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]-1-[[4-(2-sulfamoylphenyl)phenyl]methyl]indole-5-carboxamide;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(4-propylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(4-ethoxyphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2-ethylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid
PubChem CID160517039
Molecular FormulaC349H338BrF3N22O36S3
Molecular Weight5649.76 g/mol
Exact Mass5644.36
IUPAC Name1-[[4-[2-(acetylsulfamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(2-bromophenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(2-methylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(4-methylsulfonylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(2-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]-1-[[4-(2-sulfamoylphenyl)phenyl]methyl]indole-5-carboxamide;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(4-propylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(4-ethoxyphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2-ethylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid
SMILESCC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(C)c(C)c3cc(C(=O)N[C@@H](C)c4cccc(C(C)C)c4)ccc32)cc1.CCCc1ccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C(=O)O)cc2)cc1.CCOc1ccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C(=O)O)cc2)cc1.CCc1ccccc1[C@H](C)NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2C(=O)O)cc1.Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3ccccc3Br)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3ccccc3OC(C)C)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3ccccc3OC(F)(F)F)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12.Cc1ccccc1[C@H](C)NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2C(=O)O)cc1
InChIInChI=1S/C37H39N3O4S.C36H36N2O4.C36H36N2O3.C35H37N3O3S.C35H34N2O4.C35H34N2O3.C34H29F3N2O4.C34H32N2O5S.C34H32N2O3.C33H29BrN2O3/c1-23(2)30-10-9-11-31(20-30)25(4)38-37(42)32-18-19-35-34(21-32)24(3)26(5)40(35)22-28-14-16-29(17-15-28)33-12-7-8-13-36(33)45(43,44)39-27(6)41;1-22(2)42-34-13-9-8-10-29(34)24(4)37-35(39)28-18-19-33-32(20-28)23(3)25(5)38(33)21-26-14-16-27(17-15-26)30-11-6-7-12-31(30)36(40)41;1-5-8-26-11-15-28(16-12-26)24(3)37-35(39)30-19-20-34-33(21-30)23(2)25(4)38(34)22-27-13-17-29(18-14-27)31-9-6-7-10-32(31)36(40)41;1-22(2)28-9-8-10-29(19-28)24(4)37-35(39)30-17-18-33-32(20-30)23(3)25(5)38(33)21-26-13-15-27(16-14-26)31-11-6-7-12-34(31)42(36,40)41;1-5-41-29-17-14-26(15-18-29)23(3)36-34(38)28-16-19-33-32(20-28)22(2)24(4)37(33)21-25-10-12-27(13-11-25)30-8-6-7-9-31(30)35(39)40;1-5-26-10-6-7-11-29(26)23(3)36-34(38)28-18-19-33-32(20-28)22(2)24(4)37(33)21-25-14-16-27(17-15-25)30-12-8-9-13-31(30)35(39)40;1-20-22(3)39(19-23-12-14-24(15-13-23)27-9-4-5-10-28(27)33(41)42)30-17-16-25(18-29(20)30)32(40)38-21(2)26-8-6-7-11-31(26)43-34(35,36)37;1-21-23(3)36(20-24-9-11-26(12-10-24)29-7-5-6-8-30(29)34(38)39)32-18-15-27(19-31(21)32)33(37)35-22(2)25-13-16-28(17-14-25)42(4,40)41;1-21-9-5-6-10-28(21)23(3)35-33(37)27-17-18-32-31(19-27)22(2)24(4)36(32)20-25-13-15-26(16-14-25)29-11-7-8-12-30(29)34(38)39;1-20-22(3)36(19-23-12-14-24(15-13-23)27-9-4-5-10-28(27)33(38)39)31-17-16-25(18-29(20)31)32(37)35-21(2)26-8-6-7-11-30(26)34/h7-21,23,25H,22H2,1-6H3,(H,38,42)(H,39,41);6-20,22,24H,21H2,1-5H3,(H,37,39)(H,40,41);6-7,9-21,24H,5,8,22H2,1-4H3,(H,37,39)(H,40,41);6-20,22,24H,21H2,1-5H3,(H,37,39)(H2,36,40,41);6-20,23H,5,21H2,1-4H3,(H,36,38)(H,39,40);6-20,23H,5,21H2,1-4H3,(H,36,38)(H,39,40);4-18,21H,19H2,1-3H3,(H,38,40)(H,41,42);5-19,22H,20H2,1-4H3,(H,35,37)(H,38,39);5-19,23H,20H2,1-4H3,(H,35,37)(H,38,39);4-18,21H,19H2,1-3H3,(H,35,37)(H,38,39)/t25-;3*24-;2*23-;21-;22-;23-;21-/m0000000000/s1
InChIKeyQTUFJIDRPGBQBQ-JPRNKFTESA-N
XLogP76.02
TPSA823.93 Ų
H-Bond Donors20
H-Bond Acceptors38
Rotatable Bonds82
Heavy Atoms414
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005649.76
LogP ≤ 576.02
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1038

Analyze 1-[[4-[2-(acetylsulfamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(2-bromophenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(2-methylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(4-methylsulfonylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(2-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]-1-[[4-(2-sulfamoylphenyl)phenyl]methyl]indole-5-carboxamide;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(4-propylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(4-ethoxyphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2-ethylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[2-(acetylsulfamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(2-bromophenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(2-methylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(4-methylsulfonylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(2-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]-1-[[4-(2-sulfamoylphenyl)phenyl]methyl]indole-5-carboxamide;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(4-propylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(4-ethoxyphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2-ethylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid?
The IUPAC name of 1-[[4-[2-(acetylsulfamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(2-bromophenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(2-methylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(4-methylsulfonylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(2-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]-1-[[4-(2-sulfamoylphenyl)phenyl]methyl]indole-5-carboxamide;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(4-propylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(4-ethoxyphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2-ethylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid (CID 160517039) is 1-[[4-[2-(acetylsulfamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(2-bromophenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(2-methylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(4-methylsulfonylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(2-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]-1-[[4-(2-sulfamoylphenyl)phenyl]methyl]indole-5-carboxamide;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(4-propylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(4-ethoxyphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2-ethylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid.
What is the SMILES notation for 1-[[4-[2-(acetylsulfamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(2-bromophenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(2-methylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(4-methylsulfonylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(2-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]-1-[[4-(2-sulfamoylphenyl)phenyl]methyl]indole-5-carboxamide;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(4-propylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(4-ethoxyphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2-ethylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid?
The canonical SMILES for 1-[[4-[2-(acetylsulfamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(2-bromophenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(2-methylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(4-methylsulfonylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(2-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]-1-[[4-(2-sulfamoylphenyl)phenyl]methyl]indole-5-carboxamide;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(4-propylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(4-ethoxyphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2-ethylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid is CC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(C)c(C)c3cc(C(=O)N[C@@H](C)c4cccc(C(C)C)c4)ccc32)cc1.CCCc1ccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C(=O)O)cc2)cc1.CCOc1ccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C(=O)O)cc2)cc1.CCc1ccccc1[C@H](C)NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2C(=O)O)cc1.Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3ccccc3Br)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3ccccc3OC(C)C)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3ccccc3OC(F)(F)F)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12.Cc1ccccc1[C@H](C)NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2C(=O)O)cc1.
What is the InChIKey of 1-[[4-[2-(acetylsulfamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(2-bromophenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(2-methylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(4-methylsulfonylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(2-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]-1-[[4-(2-sulfamoylphenyl)phenyl]methyl]indole-5-carboxamide;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(4-propylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(4-ethoxyphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2-ethylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid?
The InChIKey is QTUFJIDRPGBQBQ-JPRNKFTESA-N. The full InChI is InChI=1S/C37H39N3O4S.C36H36N2O4.C36H36N2O3.C35H37N3O3S.C35H34N2O4.C35H34N2O3.C34H29F3N2O4.C34H32N2O5S.C34H32N2O3.C33H29BrN2O3/c1-23(2)30-10-9-11-31(20-30)25(4)38-37(42)32-18-19-35-34(21-32)24(3)26(5)40(35)22-28-14-16-29(17-15-28)33-12-7-8-13-36(33)45(43,44)39-27(6)41;1-22(2)42-34-13-9-8-10-29(34)24(4)37-35(39)28-18-19-33-32(20-28)23(3)25(5)38(33)21-26-14-16-27(17-15-26)30-11-6-7-12-31(30)36(40)41;1-5-8-26-11-15-28(16-12-26)24(3)37-35(39)30-19-20-34-33(21-30)23(2)25(4)38(34)22-27-13-17-29(18-14-27)31-9-6-7-10-32(31)36(40)41;1-22(2)28-9-8-10-29(19-28)24(4)37-35(39)30-17-18-33-32(20-30)23(3)25(5)38(33)21-26-13-15-27(16-14-26)31-11-6-7-12-34(31)42(36,40)41;1-5-41-29-17-14-26(15-18-29)23(3)36-34(38)28-16-19-33-32(20-28)22(2)24(4)37(33)21-25-10-12-27(13-11-25)30-8-6-7-9-31(30)35(39)40;1-5-26-10-6-7-11-29(26)23(3)36-34(38)28-18-19-33-32(20-28)22(2)24(4)37(33)21-25-14-16-27(17-15-25)30-12-8-9-13-31(30)35(39)40;1-20-22(3)39(19-23-12-14-24(15-13-23)27-9-4-5-10-28(27)33(41)42)30-17-16-25(18-29(20)30)32(40)38-21(2)26-8-6-7-11-31(26)43-34(35,36)37;1-21-23(3)36(20-24-9-11-26(12-10-24)29-7-5-6-8-30(29)34(38)39)32-18-15-27(19-31(21)32)33(37)35-22(2)25-13-16-28(17-14-25)42(4,40)41;1-21-9-5-6-10-28(21)23(3)35-33(37)27-17-18-32-31(19-27)22(2)24(4)36(32)20-25-13-15-26(16-14-25)29-11-7-8-12-30(29)34(38)39;1-20-22(3)36(19-23-12-14-24(15-13-23)27-9-4-5-10-28(27)33(38)39)31-17-16-25(18-29(20)31)32(37)35-21(2)26-8-6-7-11-30(26)34/h7-21,23,25H,22H2,1-6H3,(H,38,42)(H,39,41);6-20,22,24H,21H2,1-5H3,(H,37,39)(H,40,41);6-7,9-21,24H,5,8,22H2,1-4H3,(H,37,39)(H,40,41);6-20,22,24H,21H2,1-5H3,(H,37,39)(H2,36,40,41);6-20,23H,5,21H2,1-4H3,(H,36,38)(H,39,40);6-20,23H,5,21H2,1-4H3,(H,36,38)(H,39,40);4-18,21H,19H2,1-3H3,(H,38,40)(H,41,42);5-19,22H,20H2,1-4H3,(H,35,37)(H,38,39);5-19,23H,20H2,1-4H3,(H,35,37)(H,38,39);4-18,21H,19H2,1-3H3,(H,35,37)(H,38,39)/t25-;3*24-;2*23-;21-;22-;23-;21-/m0000000000/s1.
What are the key properties of 1-[[4-[2-(acetylsulfamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(2-bromophenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(2-methylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(4-methylsulfonylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(2-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]-1-[[4-(2-sulfamoylphenyl)phenyl]methyl]indole-5-carboxamide;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(4-propylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(4-ethoxyphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2-ethylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid?
1-[[4-[2-(acetylsulfamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(2-bromophenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(2-methylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(4-methylsulfonylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(2-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]-1-[[4-(2-sulfamoylphenyl)phenyl]methyl]indole-5-carboxamide;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(4-propylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(4-ethoxyphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2-ethylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid has a molecular weight of 5649.76 g/mol, XLogP of 76.02, 82 rotatable bonds, 20 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[2-(acetylsulfamoyl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2-[4-[[5-[[(1S)-1-(2-bromophenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(2-methylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(4-methylsulfonylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(2-propan-2-yloxyphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2,3-dimethyl-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]-1-[[4-(2-sulfamoylphenyl)phenyl]methyl]indole-5-carboxamide;2-[4-[[2,3-dimethyl-5-[[(1S)-1-(4-propylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[2,3-dimethyl-5-[[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(4-ethoxyphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(2-ethylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid is sourced from PubChem (CID 160517039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).