N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]-2-phenylacetamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]-3-phenylpropanamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-fluoroethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-methyl-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propyl-6-(trifluoromethoxy)indole-3-carbonitrile
C139H123F13N18O16S4 — CID 159829215
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACN-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]-2-phenylacetamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]-3-phenylpropanamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-fluoroethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-methyl-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propyl-6-(trifluoromethoxy)indole-3-carbonitrile
SMILESCCCn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)CCc4ccccc4)cc3)n(CC)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)Cc4ccccc4)cc3)n(CC)c2c1.CCn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.Cn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.N#Cc1c(-c2ccc(N3CCCS3(=O)=O)cc2)n(CCF)c2cc(OC(F)(F)F)ccc12
InChIInChI=1S/C28H27N3O2.C27H25N3O2.C22H20F3N3O3S.C21H17F4N3O3S.C21H18F3N3O3S.C20H16F3N3O3S/c1-3-31-26-18-23(33-4-2)15-16-24(26)25(19-29)28(31)21-11-13-22(14-12-21)30-27(32)17-10-20-8-6-5-7-9-20;1-3-30-25-17-22(32-4-2)14-15-23(25)24(18-28)27(30)20-10-12-21(13-11-20)29-26(31)16-19-8-6-5-7-9-19;1-2-10-27-20-13-17(31-22(23,24)25)8-9-18(20)19(14-26)21(27)15-4-6-16(7-5-15)28-11-3-12-32(28,29)30;22-8-10-27-19-12-16(31-21(23,24)25)6-7-17(19)18(13-26)20(27)14-2-4-15(5-3-14)28-9-1-11-32(28,29)30;1-2-26-19-12-16(30-21(22,23)24)8-9-17(19)18(13-25)20(26)14-4-6-15(7-5-14)27-10-3-11-31(27,28)29;1-25-18-11-15(29-20(21,22)23)7-8-16(18)17(12-24)19(25)13-3-5-14(6-4-13)26-9-2-10-30(26,27)28/h5-9,11-16,18H,3-4,10,17H2,1-2H3,(H,30,32);5-15,17H,3-4,16H2,1-2H3,(H,29,31);4-9,13H,2-3,10-12H2,1H3;2-7,12H,1,8-11H2;4-9,12H,2-3,10-11H2,1H3;3-8,11H,2,9-10H2,1H3
InChIKeyNNGACLQCXGRYMS-UHFFFAOYSA-N
MW2676.86 g/mol
LogP30.36
Rot. Bonds32
About N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]-2-phenylacetamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]-3-phenylpropanamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-fluoroethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-methyl-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propyl-6-(trifluoromethoxy)indole-3-carbonitrile
N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]-2-phenylacetamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]-3-phenylpropanamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-fluoroethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-methyl-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propyl-6-(trifluoromethoxy)indole-3-carbonitrile (PubChem CID 159829215) has the molecular formula C139H123F13N18O16S4 and a molecular weight of 2676.86 g/mol. Its IUPAC name is N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]-2-phenylacetamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]-3-phenylpropanamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-fluoroethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-methyl-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propyl-6-(trifluoromethoxy)indole-3-carbonitrile.
Molecular Properties
| Compound Name | N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]-2-phenylacetamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]-3-phenylpropanamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-fluoroethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-methyl-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propyl-6-(trifluoromethoxy)indole-3-carbonitrile |
|---|---|
| PubChem CID | 159829215 |
| Molecular Formula | C139H123F13N18O16S4 |
| Molecular Weight | 2676.86 g/mol |
| Exact Mass | 2674.80 |
| IUPAC Name | N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]-2-phenylacetamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]-3-phenylpropanamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-fluoroethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-methyl-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propyl-6-(trifluoromethoxy)indole-3-carbonitrile |
| SMILES | CCCn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)CCc4ccccc4)cc3)n(CC)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)Cc4ccccc4)cc3)n(CC)c2c1.CCn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.Cn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.N#Cc1c(-c2ccc(N3CCCS3(=O)=O)cc2)n(CCF)c2cc(OC(F)(F)F)ccc12 |
| InChI | InChI=1S/C28H27N3O2.C27H25N3O2.C22H20F3N3O3S.C21H17F4N3O3S.C21H18F3N3O3S.C20H16F3N3O3S/c1-3-31-26-18-23(33-4-2)15-16-24(26)25(19-29)28(31)21-11-13-22(14-12-21)30-27(32)17-10-20-8-6-5-7-9-20;1-3-30-25-17-22(32-4-2)14-15-23(25)24(18-28)27(30)20-10-12-21(13-11-20)29-26(31)16-19-8-6-5-7-9-19;1-2-10-27-20-13-17(31-22(23,24)25)8-9-18(20)19(14-26)21(27)15-4-6-16(7-5-15)28-11-3-12-32(28,29)30;22-8-10-27-19-12-16(31-21(23,24)25)6-7-17(19)18(13-26)20(27)14-2-4-15(5-3-14)28-9-1-11-32(28,29)30;1-2-26-19-12-16(30-21(22,23)24)8-9-17(19)18(13-25)20(26)14-4-6-15(7-5-14)27-10-3-11-31(27,28)29;1-25-18-11-15(29-20(21,22)23)7-8-16(18)17(12-24)19(25)13-3-5-14(6-4-13)26-9-2-10-30(26,27)28/h5-9,11-16,18H,3-4,10,17H2,1-2H3,(H,30,32);5-15,17H,3-4,16H2,1-2H3,(H,29,31);4-9,13H,2-3,10-12H2,1H3;2-7,12H,1,8-11H2;4-9,12H,2-3,10-11H2,1H3;3-8,11H,2,9-10H2,1H3 |
| InChIKey | NNGACLQCXGRYMS-UHFFFAOYSA-N |
| XLogP | 30.36 |
| TPSA | 435.42 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 190 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2676.86 |
| LogP ≤ 5 | 30.36 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 28 |
Frequently Asked Questions
What is the IUPAC name of N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]-2-phenylacetamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]-3-phenylpropanamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-fluoroethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-methyl-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propyl-6-(trifluoromethoxy)indole-3-carbonitrile?
The IUPAC name of N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]-2-phenylacetamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]-3-phenylpropanamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-fluoroethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-methyl-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propyl-6-(trifluoromethoxy)indole-3-carbonitrile (CID 159829215) is N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]-2-phenylacetamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]-3-phenylpropanamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-fluoroethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-methyl-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propyl-6-(trifluoromethoxy)indole-3-carbonitrile.
What is the SMILES notation for N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]-2-phenylacetamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]-3-phenylpropanamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-fluoroethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-methyl-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propyl-6-(trifluoromethoxy)indole-3-carbonitrile?
The canonical SMILES for N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]-2-phenylacetamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]-3-phenylpropanamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-fluoroethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-methyl-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propyl-6-(trifluoromethoxy)indole-3-carbonitrile is CCCn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)CCc4ccccc4)cc3)n(CC)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)Cc4ccccc4)cc3)n(CC)c2c1.CCn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.Cn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.N#Cc1c(-c2ccc(N3CCCS3(=O)=O)cc2)n(CCF)c2cc(OC(F)(F)F)ccc12.
What is the InChIKey of N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]-2-phenylacetamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]-3-phenylpropanamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-fluoroethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-methyl-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propyl-6-(trifluoromethoxy)indole-3-carbonitrile?
The InChIKey is NNGACLQCXGRYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O2.C27H25N3O2.C22H20F3N3O3S.C21H17F4N3O3S.C21H18F3N3O3S.C20H16F3N3O3S/c1-3-31-26-18-23(33-4-2)15-16-24(26)25(19-29)28(31)21-11-13-22(14-12-21)30-27(32)17-10-20-8-6-5-7-9-20;1-3-30-25-17-22(32-4-2)14-15-23(25)24(18-28)27(30)20-10-12-21(13-11-20)29-26(31)16-19-8-6-5-7-9-19;1-2-10-27-20-13-17(31-22(23,24)25)8-9-18(20)19(14-26)21(27)15-4-6-16(7-5-15)28-11-3-12-32(28,29)30;22-8-10-27-19-12-16(31-21(23,24)25)6-7-17(19)18(13-26)20(27)14-2-4-15(5-3-14)28-9-1-11-32(28,29)30;1-2-26-19-12-16(30-21(22,23)24)8-9-17(19)18(13-25)20(26)14-4-6-15(7-5-14)27-10-3-11-31(27,28)29;1-25-18-11-15(29-20(21,22)23)7-8-16(18)17(12-24)19(25)13-3-5-14(6-4-13)26-9-2-10-30(26,27)28/h5-9,11-16,18H,3-4,10,17H2,1-2H3,(H,30,32);5-15,17H,3-4,16H2,1-2H3,(H,29,31);4-9,13H,2-3,10-12H2,1H3;2-7,12H,1,8-11H2;4-9,12H,2-3,10-11H2,1H3;3-8,11H,2,9-10H2,1H3.
What are the key properties of N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]-2-phenylacetamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]-3-phenylpropanamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-fluoroethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-methyl-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propyl-6-(trifluoromethoxy)indole-3-carbonitrile?
N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]-2-phenylacetamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]-3-phenylpropanamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-fluoroethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-methyl-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propyl-6-(trifluoromethoxy)indole-3-carbonitrile has a molecular weight of 2676.86 g/mol, XLogP of 30.36, 32 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]-2-phenylacetamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]-3-phenylpropanamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-fluoroethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-methyl-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propyl-6-(trifluoromethoxy)indole-3-carbonitrile is sourced from PubChem (CID 159829215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159829215 — identifiers, structure, computed properties (public domain)
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