3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide;N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide;methyl N-[5-[1-[2-methyl-5-[[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate;methyl N-[5-[1-[2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate

C135H134F15N31O14S4 — CID 160702874

IUPAC3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide;N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide;methyl N-[5-[1-[2-methyl-5-[[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate;methyl N-[5-[1-[2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate
SMILESCOC(=O)Nc1ncc(-c2cn(-c3cc(C(=O)Nc4cc(CN5CCCC5)cc(C(F)(F)F)c4)ccc3C)nn2)s1.COC(=O)Nc1ncc(-c2cn(-c3cc(C(=O)Nc4cc(CN5CCOCC5)cc(C(F)(F)F)c4)ccc3C)nn2)s1.COc1c(CCC(C)C)cc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(-n2cc(-c3cnc(NC(C)=O)s3)nn2)c1.COc1c(CCC(C)C)cc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(-n2cc(-c3cncnc3)nn2)c1.COc1c(CCC(C)C)cc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(-n2cc(-c3cncs3)nn2)c1
InChIInChI=1S/C28H29F3N6O3S.C27H26F3N7O4S.C27H26F3N7O3S.C27H27F3N6O2.C26H26F3N5O2S/c1-15(2)6-8-18-10-20(28(29,30)31)12-21(25(18)40-5)34-26(39)19-9-7-16(3)23(11-19)37-14-22(35-36-37)24-13-32-27(41-24)33-17(4)38;1-16-3-4-18(11-22(16)37-15-21(34-35-37)23-13-31-25(42-23)33-26(39)40-2)24(38)32-20-10-17(9-19(12-20)27(28,29)30)14-36-5-7-41-8-6-36;1-16-5-6-18(11-22(16)37-15-21(34-35-37)23-13-31-25(41-23)33-26(39)40-2)24(38)32-20-10-17(14-36-7-3-4-8-36)9-19(12-20)27(28,29)30;1-16(2)5-7-18-9-21(27(28,29)30)11-22(25(18)38-4)33-26(37)19-8-6-17(3)24(10-19)36-14-23(34-35-36)20-12-31-15-32-13-20;1-15(2)5-7-17-9-19(26(27,28)29)11-20(24(17)36-4)31-25(35)18-8-6-16(3)22(10-18)34-13-21(32-33-34)23-12-30-14-37-23/h7,9-15H,6,8H2,1-5H3,(H,34,39)(H,32,33,38);3-4,9-13,15H,5-8,14H2,1-2H3,(H,32,38)(H,31,33,39);5-6,9-13,15H,3-4,7-8,14H2,1-2H3,(H,32,38)(H,31,33,39);6,8-16H,5,7H2,1-4H3,(H,33,37);6,8-15H,5,7H2,1-4H3,(H,31,35)
InChIKeyRQVRCHJQJHOIQL-UHFFFAOYSA-N
MW2828.00 g/mol
LogP29.72
Rot. Bonds39

About 3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide;N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide;methyl N-[5-[1-[2-methyl-5-[[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate;methyl N-[5-[1-[2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate

3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide;N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide;methyl N-[5-[1-[2-methyl-5-[[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate;methyl N-[5-[1-[2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate (PubChem CID 160702874) has the molecular formula C135H134F15N31O14S4 and a molecular weight of 2828.00 g/mol. Its IUPAC name is 3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide;N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide;methyl N-[5-[1-[2-methyl-5-[[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate;methyl N-[5-[1-[2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Name3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide;N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide;methyl N-[5-[1-[2-methyl-5-[[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate;methyl N-[5-[1-[2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate
PubChem CID160702874
Molecular FormulaC135H134F15N31O14S4
Molecular Weight2828.00 g/mol
Exact Mass2825.94
IUPAC Name3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide;N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide;methyl N-[5-[1-[2-methyl-5-[[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate;methyl N-[5-[1-[2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate
SMILESCOC(=O)Nc1ncc(-c2cn(-c3cc(C(=O)Nc4cc(CN5CCCC5)cc(C(F)(F)F)c4)ccc3C)nn2)s1.COC(=O)Nc1ncc(-c2cn(-c3cc(C(=O)Nc4cc(CN5CCOCC5)cc(C(F)(F)F)c4)ccc3C)nn2)s1.COc1c(CCC(C)C)cc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(-n2cc(-c3cnc(NC(C)=O)s3)nn2)c1.COc1c(CCC(C)C)cc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(-n2cc(-c3cncnc3)nn2)c1.COc1c(CCC(C)C)cc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(-n2cc(-c3cncs3)nn2)c1
InChIInChI=1S/C28H29F3N6O3S.C27H26F3N7O4S.C27H26F3N7O3S.C27H27F3N6O2.C26H26F3N5O2S/c1-15(2)6-8-18-10-20(28(29,30)31)12-21(25(18)40-5)34-26(39)19-9-7-16(3)23(11-19)37-14-22(35-36-37)24-13-32-27(41-24)33-17(4)38;1-16-3-4-18(11-22(16)37-15-21(34-35-37)23-13-31-25(42-23)33-26(39)40-2)24(38)32-20-10-17(9-19(12-20)27(28,29)30)14-36-5-7-41-8-6-36;1-16-5-6-18(11-22(16)37-15-21(34-35-37)23-13-31-25(41-23)33-26(39)40-2)24(38)32-20-10-17(14-36-7-3-4-8-36)9-19(12-20)27(28,29)30;1-16(2)5-7-18-9-21(27(28,29)30)11-22(25(18)38-4)33-26(37)19-8-6-17(3)24(10-19)36-14-23(34-35-36)20-12-31-15-32-13-20;1-15(2)5-7-17-9-19(26(27,28)29)11-20(24(17)36-4)31-25(35)18-8-6-16(3)22(10-18)34-13-21(32-33-34)23-12-30-14-37-23/h7,9-15H,6,8H2,1-5H3,(H,34,39)(H,32,33,38);3-4,9-13,15H,5-8,14H2,1-2H3,(H,32,38)(H,31,33,39);5-6,9-13,15H,3-4,7-8,14H2,1-2H3,(H,32,38)(H,31,33,39);6,8-16H,5,7H2,1-4H3,(H,33,37);6,8-15H,5,7H2,1-4H3,(H,31,35)
InChIKeyRQVRCHJQJHOIQL-UHFFFAOYSA-N
XLogP29.72
TPSA525.55 Ų
H-Bond Donors8
H-Bond Acceptors41
Rotatable Bonds39
Heavy Atoms199
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002828.00
LogP ≤ 529.72
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1041

Analyze 3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide;N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide;methyl N-[5-[1-[2-methyl-5-[[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate;methyl N-[5-[1-[2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate with MolForge

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Related Compounds

N-[3-[(3-fluoropyrrolidin-1-yl)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-[2-(methylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide
CID 25170191
methyl N-[5-[1-[5-[[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate
CID 58366399
3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 58366869
3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[3-[(dimethylamino)methyl]-4-methoxy-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[3-(3,3-dimethylbutyl)-4-methyl-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[4-methyl-3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide;N-[3-(3,3-dimethylbutyl)-4-methyl-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[4-methyl-3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide
CID 157074548
1-[3-tert-butyl-5-(3-methylbutyl)phenyl]-2-[3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylphenyl]ethanone;N-[5-[1-[5-[2-[3-tert-butyl-5-(3-methylbutyl)phenyl]-2-oxoethyl]-2-methylphenyl]triazol-4-yl]-1,3-thiazol-2-yl]acetamide;1-[3-tert-butyl-5-(pyrrolidin-1-ylmethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone;2-[3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylphenyl]-1-[3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]ethanone;2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]-1-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]ethanone
CID 157079874
N-[5-tert-butyl-2-methoxy-3-(morpholin-4-ylmethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[(cyclopropylamino)methyl]-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide;N-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide;4-methyl-N-[3-propyl-5-(trifluoromethyl)phenyl]-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide
CID 157824581
3-[4-(6-acetamido-3-pyridinyl)triazol-1-yl]-N-[3-(3,3-dimethylbutyl)-2-methoxy-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(6-acetamido-3-pyridinyl)triazol-1-yl]-N-[3-[(3-fluoropyrrolidin-1-yl)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(6-acetamido-3-pyridinyl)triazol-1-yl]-N-[2-methoxy-3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[3-(3,3-dimethylbutyl)-2-methoxy-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-[2-(methylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide;N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-[2-(methylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide
CID 157995985
3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[4-methyl-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[4-methyl-3-(4-methylpentyl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[4-methyl-3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[4-methyl-3-(piperidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide;methyl N-[5-[1-[5-[[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]triazol-4-yl]-1-methylimidazol-2-yl]carbamate
CID 158440434
3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[3-(azetidin-1-ylmethyl)-4-methoxy-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[4-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[4-methoxy-3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;methyl N-[5-[1-[5-[[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate
CID 158475160
1-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)phenyl]-2-[3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylphenyl]ethanone;1-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone;1-[3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone;methyl N-[5-[1-[2-methyl-5-[2-[3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-2-oxoethyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate
CID 158761299
3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide;N-[3-[[tert-butyl(methyl)amino]methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[[tert-butyl(methyl)amino]methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[3-(3,3-dimethylbutyl)-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-(3,3-dimethylbutyl)-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide
CID 158835387
N-[3-(3,3-dimethylbutyl)-4-methyl-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[3-[(3-fluoropyrrolidin-1-yl)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-[2-(methylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide;3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methyl-N-[4-methyl-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methyl-N-[4-methyl-3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide;N-[2-methoxy-3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-[2-(methylamino)-1,3-thiazol-5-yl]triazol-1-yl]benzamide
CID 159128488

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide;N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide;methyl N-[5-[1-[2-methyl-5-[[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate;methyl N-[5-[1-[2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate?
The IUPAC name of 3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide;N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide;methyl N-[5-[1-[2-methyl-5-[[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate;methyl N-[5-[1-[2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate (CID 160702874) is 3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide;N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide;methyl N-[5-[1-[2-methyl-5-[[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate;methyl N-[5-[1-[2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for 3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide;N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide;methyl N-[5-[1-[2-methyl-5-[[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate;methyl N-[5-[1-[2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for 3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide;N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide;methyl N-[5-[1-[2-methyl-5-[[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate;methyl N-[5-[1-[2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate is COC(=O)Nc1ncc(-c2cn(-c3cc(C(=O)Nc4cc(CN5CCCC5)cc(C(F)(F)F)c4)ccc3C)nn2)s1.COC(=O)Nc1ncc(-c2cn(-c3cc(C(=O)Nc4cc(CN5CCOCC5)cc(C(F)(F)F)c4)ccc3C)nn2)s1.COc1c(CCC(C)C)cc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(-n2cc(-c3cnc(NC(C)=O)s3)nn2)c1.COc1c(CCC(C)C)cc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(-n2cc(-c3cncnc3)nn2)c1.COc1c(CCC(C)C)cc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(-n2cc(-c3cncs3)nn2)c1.
What is the InChIKey of 3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide;N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide;methyl N-[5-[1-[2-methyl-5-[[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate;methyl N-[5-[1-[2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate?
The InChIKey is RQVRCHJQJHOIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F3N6O3S.C27H26F3N7O4S.C27H26F3N7O3S.C27H27F3N6O2.C26H26F3N5O2S/c1-15(2)6-8-18-10-20(28(29,30)31)12-21(25(18)40-5)34-26(39)19-9-7-16(3)23(11-19)37-14-22(35-36-37)24-13-32-27(41-24)33-17(4)38;1-16-3-4-18(11-22(16)37-15-21(34-35-37)23-13-31-25(42-23)33-26(39)40-2)24(38)32-20-10-17(9-19(12-20)27(28,29)30)14-36-5-7-41-8-6-36;1-16-5-6-18(11-22(16)37-15-21(34-35-37)23-13-31-25(41-23)33-26(39)40-2)24(38)32-20-10-17(14-36-7-3-4-8-36)9-19(12-20)27(28,29)30;1-16(2)5-7-18-9-21(27(28,29)30)11-22(25(18)38-4)33-26(37)19-8-6-17(3)24(10-19)36-14-23(34-35-36)20-12-31-15-32-13-20;1-15(2)5-7-17-9-19(26(27,28)29)11-20(24(17)36-4)31-25(35)18-8-6-16(3)22(10-18)34-13-21(32-33-34)23-12-30-14-37-23/h7,9-15H,6,8H2,1-5H3,(H,34,39)(H,32,33,38);3-4,9-13,15H,5-8,14H2,1-2H3,(H,32,38)(H,31,33,39);5-6,9-13,15H,3-4,7-8,14H2,1-2H3,(H,32,38)(H,31,33,39);6,8-16H,5,7H2,1-4H3,(H,33,37);6,8-15H,5,7H2,1-4H3,(H,31,35).
What are the key properties of 3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide;N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide;methyl N-[5-[1-[2-methyl-5-[[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate;methyl N-[5-[1-[2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate?
3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide;N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide;methyl N-[5-[1-[2-methyl-5-[[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate;methyl N-[5-[1-[2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate has a molecular weight of 2828.00 g/mol, XLogP of 29.72, 39 rotatable bonds, 8 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)benzamide;N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1,3-thiazol-5-yl)triazol-1-yl]benzamide;methyl N-[5-[1-[2-methyl-5-[[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate;methyl N-[5-[1-[2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]triazol-4-yl]-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 160702874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).