N-[(1S)-1-(3-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;bis(1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]indole-5-carboxamide);bis(1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide);1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]indole-5-carboxamide;2-[4-[[2,3-dimethyl-5-[[(1R)-1-(4-methylsulfonylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;ethane

C241H225ClN20O12S — CID 159421732

About N-[(1S)-1-(3-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;bis(1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]indole-5-carboxamide);bis(1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide);1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]indole-5-carboxamide;2-[4-[[2,3-dimethyl-5-[[(1R)-1-(4-methylsulfonylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;ethane

N-[(1S)-1-(3-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;bis(1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]indole-5-carboxamide);bis(1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide);1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]indole-5-carboxamide;2-[4-[[2,3-dimethyl-5-[[(1R)-1-(4-methylsulfonylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;ethane (PubChem CID 159421732) has the molecular formula C241H225ClN20O12S and a molecular weight of 3661.10 g/mol. Its IUPAC name is N-[(1S)-1-(3-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;bis(1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]indole-5-carboxamide);bis(1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide);1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]indole-5-carboxamide;2-[4-[[2,3-dimethyl-5-[[(1R)-1-(4-methylsulfonylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;ethane.

Molecular Properties

• Compound Name: N-[(1S)-1-(3-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;bis(1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]indole-5-carboxamide);bis(1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide);1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]indole-5-carboxamide;2-[4-[[2,3-dimethyl-5-[[(1R)-1-(4-methylsulfonylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;ethane
• PubChem CID: 159421732
• Molecular Formula: C241H225ClN20O12S
• Molecular Weight: 3661.10 g/mol
• Exact Mass: 3657.70
• IUPAC Name: N-[(1S)-1-(3-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;bis(1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]indole-5-carboxamide);bis(1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide);1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]indole-5-carboxamide;2-[4-[[2,3-dimethyl-5-[[(1R)-1-(4-methylsulfonylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;ethane
• SMILES: CC.Cc1c(C)n(Cc2ccc(-c3ccccc3C#N)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(OC(C)C)cc3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C#N)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(Cl)c3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@H](C)c3ccc(S(C)(=O)=O)cc3)cc12.Cc1ccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C#N)cc2)cc1.Cc1ccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C#N)cc2)cc1.Cc1cccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C#N)cc2)c1.Cc1cccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C#N)cc2)c1
• InChI: InChI=1S/C36H35N3O2.4C34H31N3O.C34H32N2O5S.C33H28ClN3O.C2H6/c1-23(2)41-32-17-14-28(15-18-32)25(4)38-36(40)30-16-19-35-34(20-30)24(3)26(5)39(35)22-27-10-12-29(13-11-27)33-9-7-6-8-31(33)21-37;2*1-22-8-7-10-28(18-22)24(3)36-34(38)29-16-17-33-32(19-29)23(2)25(4)37(33)21-26-12-14-27(15-13-26)31-11-6-5-9-30(31)20-35;2*1-22-9-13-27(14-10-22)24(3)36-34(38)29-17-18-33-32(19-29)23(2)25(4)37(33)21-26-11-15-28(16-12-26)31-8-6-5-7-30(31)20-35;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;1-21-23(3)37(20-24-11-13-25(14-12-24)30-10-5-4-7-28(30)19-35)32-16-15-27(18-31(21)32)33(38)36-22(2)26-8-6-9-29(34)17-26;1-2/h6-20,23,25H,22H2,1-5H3,(H,38,40);4*5-19,24H,21H2,1-4H3,(H,36,38);5-19,22H,20H2,1-4H3,(H,35,37)(H,38,39);4-18,22H,20H2,1-3H3,(H,36,38);1-2H3/t25-;4*24-;2*22-;/m0000010./s1
• InChIKey: LPVRGIVPZPBNLE-GTGJSDIFSA-N
• XLogP: 54.28
• TPSA: 461.62 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 46
• Heavy Atoms: 275
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3661.10
LogP ≤ 5	54.28
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;bis(1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]indole-5-carboxamide);bis(1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide);1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]indole-5-carboxamide;2-[4-[[2,3-dimethyl-5-[[(1R)-1-(4-methylsulfonylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;ethane?

The IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;bis(1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]indole-5-carboxamide);bis(1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide);1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]indole-5-carboxamide;2-[4-[[2,3-dimethyl-5-[[(1R)-1-(4-methylsulfonylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;ethane (CID 159421732) is N-[(1S)-1-(3-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;bis(1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]indole-5-carboxamide);bis(1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide);1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]indole-5-carboxamide;2-[4-[[2,3-dimethyl-5-[[(1R)-1-(4-methylsulfonylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;ethane.

What is the SMILES notation for N-[(1S)-1-(3-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;bis(1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]indole-5-carboxamide);bis(1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide);1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]indole-5-carboxamide;2-[4-[[2,3-dimethyl-5-[[(1R)-1-(4-methylsulfonylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;ethane?

The canonical SMILES for N-[(1S)-1-(3-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;bis(1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]indole-5-carboxamide);bis(1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide);1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]indole-5-carboxamide;2-[4-[[2,3-dimethyl-5-[[(1R)-1-(4-methylsulfonylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;ethane is CC.Cc1c(C)n(Cc2ccc(-c3ccccc3C#N)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(OC(C)C)cc3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C#N)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(Cl)c3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)N[C@H](C)c3ccc(S(C)(=O)=O)cc3)cc12.Cc1ccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C#N)cc2)cc1.Cc1ccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C#N)cc2)cc1.Cc1cccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C#N)cc2)c1.Cc1cccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C#N)cc2)c1.

What is the InChIKey of N-[(1S)-1-(3-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;bis(1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]indole-5-carboxamide);bis(1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide);1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]indole-5-carboxamide;2-[4-[[2,3-dimethyl-5-[[(1R)-1-(4-methylsulfonylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;ethane?

The InChIKey is LPVRGIVPZPBNLE-GTGJSDIFSA-N. The full InChI is InChI=1S/C36H35N3O2.4C34H31N3O.C34H32N2O5S.C33H28ClN3O.C2H6/c1-23(2)41-32-17-14-28(15-18-32)25(4)38-36(40)30-16-19-35-34(20-30)24(3)26(5)39(35)22-27-10-12-29(13-11-27)33-9-7-6-8-31(33)21-37;2*1-22-8-7-10-28(18-22)24(3)36-34(38)29-16-17-33-32(19-29)23(2)25(4)37(33)21-26-12-14-27(15-13-26)31-11-6-5-9-30(31)20-35;2*1-22-9-13-27(14-10-22)24(3)36-34(38)29-17-18-33-32(19-29)23(2)25(4)37(33)21-26-11-15-28(16-12-26)31-8-6-5-7-30(31)20-35;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;1-21-23(3)37(20-24-11-13-25(14-12-24)30-10-5-4-7-28(30)19-35)32-16-15-27(18-31(21)32)33(38)36-22(2)26-8-6-9-29(34)17-26;1-2/h6-20,23,25H,22H2,1-5H3,(H,38,40);4*5-19,24H,21H2,1-4H3,(H,36,38);5-19,22H,20H2,1-4H3,(H,35,37)(H,38,39);4-18,22H,20H2,1-3H3,(H,36,38);1-2H3/t25-;4*24-;2*22-;/m0000010./s1.

What are the key properties of N-[(1S)-1-(3-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;bis(1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]indole-5-carboxamide);bis(1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide);1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]indole-5-carboxamide;2-[4-[[2,3-dimethyl-5-[[(1R)-1-(4-methylsulfonylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;ethane?

N-[(1S)-1-(3-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;bis(1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]indole-5-carboxamide);bis(1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide);1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]indole-5-carboxamide;2-[4-[[2,3-dimethyl-5-[[(1R)-1-(4-methylsulfonylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;ethane has a molecular weight of 3661.10 g/mol, XLogP of 54.28, 46 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-(3-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;bis(1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]indole-5-carboxamide);bis(1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide);1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]indole-5-carboxamide;2-[4-[[2,3-dimethyl-5-[[(1R)-1-(4-methylsulfonylphenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;ethane is sourced from PubChem (CID 159421732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).