3-(cyclohexanecarbonyl)-N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-1-methylindole-5-carboxamide;methane;4-[(2-methoxy-3,4-dimethylphenyl)methyl]-N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]benzamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-4-methylbenzamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-1-methyl-3-(thiophene-2-carbonyl)indole-5-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]naphthalene-1-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-4-pyridin-2-ylbenzamide

C309H336F3N21O19S10 — CID 157164367

IUPAC3-(cyclohexanecarbonyl)-N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-1-methylindole-5-carboxamide;methane;4-[(2-methoxy-3,4-dimethylphenyl)methyl]-N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]benzamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-4-methylbenzamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-1-methyl-3-(thiophene-2-carbonyl)indole-5-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]naphthalene-1-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-4-pyridin-2-ylbenzamide
SMILESC.C.C.C.C.C.C.C.COc1cccc(CN(CCSc2ccccc2)Cc2ccc(CNC(=O)c3ccc(-c4ccccn4)cc3)cc2)c1.COc1cccc(CN(CCSc2ccccc2)Cc2ccc(CNC(=O)c3ccc(C)cc3)cc2)c1.COc1cccc(CN(CCSc2ccccc2)Cc2ccc(CNC(=O)c3ccc(Cc4ccc(C)c(C)c4OC)cc3)cc2)c1.COc1cccc(CN(CCSc2ccccc2)Cc2ccc(CNC(=O)c3ccc4c(c3)c(C(=O)C3CCCCC3)cn4C)cc2)c1.COc1cccc(CN(CCSc2ccccc2)Cc2ccc(CNC(=O)c3ccc4c(c3)c(C(=O)c3cccs3)cn4C)cc2)c1.COc1cccc(CN(CCSc2ccccc2)Cc2ccc(CNC(=O)c3ccc4c(ccn4Cc4ccc(C)cc4C(F)(F)F)c3)cc2)c1.COc1cccc(CN(CCSc2ccccc2)Cc2ccc(CNC(=O)c3cccc4ccccc34)cc2)c1.COc1cccc(CN(CCSc2ccccc2)Cc2ccc(CNC(=O)c3sc(-c4ccccc4)nc3C)cc2)c1
InChIInChI=1S/C42H40F3N3O2S.C41H45N3O3S.C41H44N2O3S.C39H37N3O3S2.C36H35N3O2S.C35H35N3O2S2.C35H34N2O2S.C32H34N2O2S.8CH4/c1-30-11-16-36(39(23-30)42(43,44)45)29-48-20-19-34-25-35(17-18-40(34)48)41(49)46-26-31-12-14-32(15-13-31)27-47(21-22-51-38-9-4-3-5-10-38)28-33-7-6-8-37(24-33)50-2;1-43-29-38(40(45)33-11-5-3-6-12-33)37-25-34(20-21-39(37)43)41(46)42-26-30-16-18-31(19-17-30)27-44(22-23-48-36-14-7-4-8-15-36)28-32-10-9-13-35(24-32)47-2;1-30-13-20-37(40(46-4)31(30)2)25-32-18-21-36(22-19-32)41(44)42-27-33-14-16-34(17-15-33)28-43(23-24-47-39-11-6-5-7-12-39)29-35-9-8-10-38(26-35)45-3;1-41-27-35(38(43)37-12-7-20-47-37)34-23-31(17-18-36(34)41)39(44)40-24-28-13-15-29(16-14-28)25-42(19-21-46-33-10-4-3-5-11-33)26-30-8-6-9-32(22-30)45-2;1-41-33-9-7-8-30(24-33)27-39(22-23-42-34-10-3-2-4-11-34)26-29-15-13-28(14-16-29)25-38-36(40)32-19-17-31(18-20-32)35-12-5-6-21-37-35;1-26-33(42-35(37-26)30-11-5-3-6-12-30)34(39)36-23-27-16-18-28(19-17-27)24-38(20-21-41-32-14-7-4-8-15-32)25-29-10-9-13-31(22-29)40-2;1-39-31-12-7-9-29(23-31)26-37(21-22-40-32-13-3-2-4-14-32)25-28-19-17-27(18-20-28)24-36-35(38)34-16-8-11-30-10-5-6-15-33(30)34;1-25-11-17-29(18-12-25)32(35)33-22-26-13-15-27(16-14-26)23-34(19-20-37-31-9-4-3-5-10-31)24-28-7-6-8-30(21-28)36-2;;;;;;;;/h3-20,23-25H,21-22,26-29H2,1-2H3,(H,46,49);4,7-10,13-21,24-25,29,33H,3,5-6,11-12,22-23,26-28H2,1-2H3,(H,42,46);5-22,26H,23-25,27-29H2,1-4H3,(H,42,44);3-18,20,22-23,27H,19,21,24-26H2,1-2H3,(H,40,44);2-21,24H,22-23,25-27H2,1H3,(H,38,40);3-19,22H,20-21,23-25H2,1-2H3,(H,36,39);2-20,23H,21-22,24-26H2,1H3,(H,36,38);3-18,21H,19-20,22-24H2,1-2H3,(H,33,35);8*1H4
InChIKeyAMSURVJEYKWVBG-UHFFFAOYSA-N
MW5025.88 g/mol
LogP69.99
Rot. Bonds107

About 3-(cyclohexanecarbonyl)-N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-1-methylindole-5-carboxamide;methane;4-[(2-methoxy-3,4-dimethylphenyl)methyl]-N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]benzamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-4-methylbenzamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-1-methyl-3-(thiophene-2-carbonyl)indole-5-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]naphthalene-1-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-4-pyridin-2-ylbenzamide

3-(cyclohexanecarbonyl)-N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-1-methylindole-5-carboxamide;methane;4-[(2-methoxy-3,4-dimethylphenyl)methyl]-N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]benzamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-4-methylbenzamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-1-methyl-3-(thiophene-2-carbonyl)indole-5-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]naphthalene-1-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-4-pyridin-2-ylbenzamide (PubChem CID 157164367) has the molecular formula C309H336F3N21O19S10 and a molecular weight of 5025.88 g/mol. Its IUPAC name is 3-(cyclohexanecarbonyl)-N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-1-methylindole-5-carboxamide;methane;4-[(2-methoxy-3,4-dimethylphenyl)methyl]-N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]benzamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-4-methylbenzamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-1-methyl-3-(thiophene-2-carbonyl)indole-5-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]naphthalene-1-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-4-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name3-(cyclohexanecarbonyl)-N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-1-methylindole-5-carboxamide;methane;4-[(2-methoxy-3,4-dimethylphenyl)methyl]-N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]benzamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-4-methylbenzamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-1-methyl-3-(thiophene-2-carbonyl)indole-5-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]naphthalene-1-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-4-pyridin-2-ylbenzamide
PubChem CID157164367
Molecular FormulaC309H336F3N21O19S10
Molecular Weight5025.88 g/mol
Exact Mass5021.31
IUPAC Name3-(cyclohexanecarbonyl)-N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-1-methylindole-5-carboxamide;methane;4-[(2-methoxy-3,4-dimethylphenyl)methyl]-N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]benzamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-4-methylbenzamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-1-methyl-3-(thiophene-2-carbonyl)indole-5-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]naphthalene-1-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-4-pyridin-2-ylbenzamide
SMILESC.C.C.C.C.C.C.C.COc1cccc(CN(CCSc2ccccc2)Cc2ccc(CNC(=O)c3ccc(-c4ccccn4)cc3)cc2)c1.COc1cccc(CN(CCSc2ccccc2)Cc2ccc(CNC(=O)c3ccc(C)cc3)cc2)c1.COc1cccc(CN(CCSc2ccccc2)Cc2ccc(CNC(=O)c3ccc(Cc4ccc(C)c(C)c4OC)cc3)cc2)c1.COc1cccc(CN(CCSc2ccccc2)Cc2ccc(CNC(=O)c3ccc4c(c3)c(C(=O)C3CCCCC3)cn4C)cc2)c1.COc1cccc(CN(CCSc2ccccc2)Cc2ccc(CNC(=O)c3ccc4c(c3)c(C(=O)c3cccs3)cn4C)cc2)c1.COc1cccc(CN(CCSc2ccccc2)Cc2ccc(CNC(=O)c3ccc4c(ccn4Cc4ccc(C)cc4C(F)(F)F)c3)cc2)c1.COc1cccc(CN(CCSc2ccccc2)Cc2ccc(CNC(=O)c3cccc4ccccc34)cc2)c1.COc1cccc(CN(CCSc2ccccc2)Cc2ccc(CNC(=O)c3sc(-c4ccccc4)nc3C)cc2)c1
InChIInChI=1S/C42H40F3N3O2S.C41H45N3O3S.C41H44N2O3S.C39H37N3O3S2.C36H35N3O2S.C35H35N3O2S2.C35H34N2O2S.C32H34N2O2S.8CH4/c1-30-11-16-36(39(23-30)42(43,44)45)29-48-20-19-34-25-35(17-18-40(34)48)41(49)46-26-31-12-14-32(15-13-31)27-47(21-22-51-38-9-4-3-5-10-38)28-33-7-6-8-37(24-33)50-2;1-43-29-38(40(45)33-11-5-3-6-12-33)37-25-34(20-21-39(37)43)41(46)42-26-30-16-18-31(19-17-30)27-44(22-23-48-36-14-7-4-8-15-36)28-32-10-9-13-35(24-32)47-2;1-30-13-20-37(40(46-4)31(30)2)25-32-18-21-36(22-19-32)41(44)42-27-33-14-16-34(17-15-33)28-43(23-24-47-39-11-6-5-7-12-39)29-35-9-8-10-38(26-35)45-3;1-41-27-35(38(43)37-12-7-20-47-37)34-23-31(17-18-36(34)41)39(44)40-24-28-13-15-29(16-14-28)25-42(19-21-46-33-10-4-3-5-11-33)26-30-8-6-9-32(22-30)45-2;1-41-33-9-7-8-30(24-33)27-39(22-23-42-34-10-3-2-4-11-34)26-29-15-13-28(14-16-29)25-38-36(40)32-19-17-31(18-20-32)35-12-5-6-21-37-35;1-26-33(42-35(37-26)30-11-5-3-6-12-30)34(39)36-23-27-16-18-28(19-17-27)24-38(20-21-41-32-14-7-4-8-15-32)25-29-10-9-13-31(22-29)40-2;1-39-31-12-7-9-29(23-31)26-37(21-22-40-32-13-3-2-4-14-32)25-28-19-17-27(18-20-28)24-36-35(38)34-16-8-11-30-10-5-6-15-33(30)34;1-25-11-17-29(18-12-25)32(35)33-22-26-13-15-27(16-14-26)23-34(19-20-37-31-9-4-3-5-10-31)24-28-7-6-8-30(21-28)36-2;;;;;;;;/h3-20,23-25H,21-22,26-29H2,1-2H3,(H,46,49);4,7-10,13-21,24-25,29,33H,3,5-6,11-12,22-23,26-28H2,1-2H3,(H,42,46);5-22,26H,23-25,27-29H2,1-4H3,(H,42,44);3-18,20,22-23,27H,19,21,24-26H2,1-2H3,(H,40,44);2-21,24H,22-23,25-27H2,1H3,(H,38,40);3-19,22H,20-21,23-25H2,1-2H3,(H,36,39);2-20,23H,21-22,24-26H2,1H3,(H,36,38);3-18,21H,19-20,22-24H2,1-2H3,(H,33,35);8*1H4
InChIKeyAMSURVJEYKWVBG-UHFFFAOYSA-N
XLogP69.99
TPSA416.50 Ų
H-Bond Donors8
H-Bond Acceptors42
Rotatable Bonds107
Heavy Atoms362
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005025.88
LogP ≤ 569.99
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1042

Analyze 3-(cyclohexanecarbonyl)-N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-1-methylindole-5-carboxamide;methane;4-[(2-methoxy-3,4-dimethylphenyl)methyl]-N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]benzamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-4-methylbenzamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-1-methyl-3-(thiophene-2-carbonyl)indole-5-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]naphthalene-1-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-4-pyridin-2-ylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexanecarbonyl)-N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-1-methylindole-5-carboxamide;methane;4-[(2-methoxy-3,4-dimethylphenyl)methyl]-N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]benzamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-4-methylbenzamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-1-methyl-3-(thiophene-2-carbonyl)indole-5-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]naphthalene-1-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-4-pyridin-2-ylbenzamide?
The IUPAC name of 3-(cyclohexanecarbonyl)-N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-1-methylindole-5-carboxamide;methane;4-[(2-methoxy-3,4-dimethylphenyl)methyl]-N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]benzamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-4-methylbenzamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-1-methyl-3-(thiophene-2-carbonyl)indole-5-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]naphthalene-1-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-4-pyridin-2-ylbenzamide (CID 157164367) is 3-(cyclohexanecarbonyl)-N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-1-methylindole-5-carboxamide;methane;4-[(2-methoxy-3,4-dimethylphenyl)methyl]-N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]benzamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-4-methylbenzamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-1-methyl-3-(thiophene-2-carbonyl)indole-5-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]naphthalene-1-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-4-pyridin-2-ylbenzamide.
What is the SMILES notation for 3-(cyclohexanecarbonyl)-N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-1-methylindole-5-carboxamide;methane;4-[(2-methoxy-3,4-dimethylphenyl)methyl]-N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]benzamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-4-methylbenzamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-1-methyl-3-(thiophene-2-carbonyl)indole-5-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]naphthalene-1-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-4-pyridin-2-ylbenzamide?
The canonical SMILES for 3-(cyclohexanecarbonyl)-N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-1-methylindole-5-carboxamide;methane;4-[(2-methoxy-3,4-dimethylphenyl)methyl]-N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]benzamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-4-methylbenzamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-1-methyl-3-(thiophene-2-carbonyl)indole-5-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]naphthalene-1-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-4-pyridin-2-ylbenzamide is C.C.C.C.C.C.C.C.COc1cccc(CN(CCSc2ccccc2)Cc2ccc(CNC(=O)c3ccc(-c4ccccn4)cc3)cc2)c1.COc1cccc(CN(CCSc2ccccc2)Cc2ccc(CNC(=O)c3ccc(C)cc3)cc2)c1.COc1cccc(CN(CCSc2ccccc2)Cc2ccc(CNC(=O)c3ccc(Cc4ccc(C)c(C)c4OC)cc3)cc2)c1.COc1cccc(CN(CCSc2ccccc2)Cc2ccc(CNC(=O)c3ccc4c(c3)c(C(=O)C3CCCCC3)cn4C)cc2)c1.COc1cccc(CN(CCSc2ccccc2)Cc2ccc(CNC(=O)c3ccc4c(c3)c(C(=O)c3cccs3)cn4C)cc2)c1.COc1cccc(CN(CCSc2ccccc2)Cc2ccc(CNC(=O)c3ccc4c(ccn4Cc4ccc(C)cc4C(F)(F)F)c3)cc2)c1.COc1cccc(CN(CCSc2ccccc2)Cc2ccc(CNC(=O)c3cccc4ccccc34)cc2)c1.COc1cccc(CN(CCSc2ccccc2)Cc2ccc(CNC(=O)c3sc(-c4ccccc4)nc3C)cc2)c1.
What is the InChIKey of 3-(cyclohexanecarbonyl)-N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-1-methylindole-5-carboxamide;methane;4-[(2-methoxy-3,4-dimethylphenyl)methyl]-N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]benzamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-4-methylbenzamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-1-methyl-3-(thiophene-2-carbonyl)indole-5-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]naphthalene-1-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-4-pyridin-2-ylbenzamide?
The InChIKey is AMSURVJEYKWVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H40F3N3O2S.C41H45N3O3S.C41H44N2O3S.C39H37N3O3S2.C36H35N3O2S.C35H35N3O2S2.C35H34N2O2S.C32H34N2O2S.8CH4/c1-30-11-16-36(39(23-30)42(43,44)45)29-48-20-19-34-25-35(17-18-40(34)48)41(49)46-26-31-12-14-32(15-13-31)27-47(21-22-51-38-9-4-3-5-10-38)28-33-7-6-8-37(24-33)50-2;1-43-29-38(40(45)33-11-5-3-6-12-33)37-25-34(20-21-39(37)43)41(46)42-26-30-16-18-31(19-17-30)27-44(22-23-48-36-14-7-4-8-15-36)28-32-10-9-13-35(24-32)47-2;1-30-13-20-37(40(46-4)31(30)2)25-32-18-21-36(22-19-32)41(44)42-27-33-14-16-34(17-15-33)28-43(23-24-47-39-11-6-5-7-12-39)29-35-9-8-10-38(26-35)45-3;1-41-27-35(38(43)37-12-7-20-47-37)34-23-31(17-18-36(34)41)39(44)40-24-28-13-15-29(16-14-28)25-42(19-21-46-33-10-4-3-5-11-33)26-30-8-6-9-32(22-30)45-2;1-41-33-9-7-8-30(24-33)27-39(22-23-42-34-10-3-2-4-11-34)26-29-15-13-28(14-16-29)25-38-36(40)32-19-17-31(18-20-32)35-12-5-6-21-37-35;1-26-33(42-35(37-26)30-11-5-3-6-12-30)34(39)36-23-27-16-18-28(19-17-27)24-38(20-21-41-32-14-7-4-8-15-32)25-29-10-9-13-31(22-29)40-2;1-39-31-12-7-9-29(23-31)26-37(21-22-40-32-13-3-2-4-14-32)25-28-19-17-27(18-20-28)24-36-35(38)34-16-8-11-30-10-5-6-15-33(30)34;1-25-11-17-29(18-12-25)32(35)33-22-26-13-15-27(16-14-26)23-34(19-20-37-31-9-4-3-5-10-31)24-28-7-6-8-30(21-28)36-2;;;;;;;;/h3-20,23-25H,21-22,26-29H2,1-2H3,(H,46,49);4,7-10,13-21,24-25,29,33H,3,5-6,11-12,22-23,26-28H2,1-2H3,(H,42,46);5-22,26H,23-25,27-29H2,1-4H3,(H,42,44);3-18,20,22-23,27H,19,21,24-26H2,1-2H3,(H,40,44);2-21,24H,22-23,25-27H2,1H3,(H,38,40);3-19,22H,20-21,23-25H2,1-2H3,(H,36,39);2-20,23H,21-22,24-26H2,1H3,(H,36,38);3-18,21H,19-20,22-24H2,1-2H3,(H,33,35);8*1H4.
What are the key properties of 3-(cyclohexanecarbonyl)-N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-1-methylindole-5-carboxamide;methane;4-[(2-methoxy-3,4-dimethylphenyl)methyl]-N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]benzamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-4-methylbenzamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-1-methyl-3-(thiophene-2-carbonyl)indole-5-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]naphthalene-1-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-4-pyridin-2-ylbenzamide?
3-(cyclohexanecarbonyl)-N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-1-methylindole-5-carboxamide;methane;4-[(2-methoxy-3,4-dimethylphenyl)methyl]-N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]benzamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-4-methylbenzamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-1-methyl-3-(thiophene-2-carbonyl)indole-5-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]naphthalene-1-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-4-pyridin-2-ylbenzamide has a molecular weight of 5025.88 g/mol, XLogP of 69.99, 107 rotatable bonds, 8 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexanecarbonyl)-N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-1-methylindole-5-carboxamide;methane;4-[(2-methoxy-3,4-dimethylphenyl)methyl]-N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]benzamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-4-methylbenzamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-1-methyl-3-(thiophene-2-carbonyl)indole-5-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]naphthalene-1-carboxamide;N-[[4-[[(3-methoxyphenyl)methyl-(2-phenylsulfanylethyl)amino]methyl]phenyl]methyl]-4-pyridin-2-ylbenzamide is sourced from PubChem (CID 157164367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).