C192H197ClN20O24S8 — CID 159515529
N-[2-[2-(1-benzofuran-2-yl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide;N-[2-[2-(1-benzothiophen-2-yl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide;N-[2-[2-(1-benzothiophen-3-yl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide;N-[2-[2-(5-chlorothiophen-2-yl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide;N-[2-[2-(2-formylthiophen-3-yl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide;N-[2-[2-(3-formylthiophen-2-yl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide;N-[2-[2-(5-formylthiophen-2-yl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide;N-[2-[5-methoxy-2-(5-methylthiophen-2-yl)-1H-indol-3-yl]ethyl]acetamide;N-[2-[5-methoxy-2-(2,3,5,6-tetramethylphenyl)-1H-indol-3-yl]ethyl]acetamide;N-[2-(5-methoxy-2-thiophen-3-yl-1H-indol-3-yl)ethyl]acetamide (PubChem CID 159515529) has the molecular formula C192H197ClN20O24S8 and a molecular weight of 3460.79 g/mol. Its IUPAC name is N-[2-[2-(1-benzofuran-2-yl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide;N-[2-[2-(1-benzothiophen-2-yl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide;N-[2-[2-(1-benzothiophen-3-yl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide;N-[2-[2-(5-chlorothiophen-2-yl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide;N-[2-[2-(2-formylthiophen-3-yl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide;N-[2-[2-(3-formylthiophen-2-yl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide;N-[2-[2-(5-formylthiophen-2-yl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide;N-[2-[5-methoxy-2-(5-methylthiophen-2-yl)-1H-indol-3-yl]ethyl]acetamide;N-[2-[5-methoxy-2-(2,3,5,6-tetramethylphenyl)-1H-indol-3-yl]ethyl]acetamide;N-[2-(5-methoxy-2-thiophen-3-yl-1H-indol-3-yl)ethyl]acetamide.
| Compound Name | N-[2-[2-(1-benzofuran-2-yl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide;N-[2-[2-(1-benzothiophen-2-yl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide;N-[2-[2-(1-benzothiophen-3-yl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide;N-[2-[2-(5-chlorothiophen-2-yl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide;N-[2-[2-(2-formylthiophen-3-yl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide;N-[2-[2-(3-formylthiophen-2-yl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide;N-[2-[2-(5-formylthiophen-2-yl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide;N-[2-[5-methoxy-2-(5-methylthiophen-2-yl)-1H-indol-3-yl]ethyl]acetamide;N-[2-[5-methoxy-2-(2,3,5,6-tetramethylphenyl)-1H-indol-3-yl]ethyl]acetamide;N-[2-(5-methoxy-2-thiophen-3-yl-1H-indol-3-yl)ethyl]acetamide |
|---|---|
| PubChem CID | 159515529 |
| Molecular Formula | C192H197ClN20O24S8 |
| Molecular Weight | 3460.79 g/mol |
| Exact Mass | 3457.23 |
| IUPAC Name | N-[2-[2-(1-benzofuran-2-yl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide;N-[2-[2-(1-benzothiophen-2-yl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide;N-[2-[2-(1-benzothiophen-3-yl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide;N-[2-[2-(5-chlorothiophen-2-yl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide;N-[2-[2-(2-formylthiophen-3-yl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide;N-[2-[2-(3-formylthiophen-2-yl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide;N-[2-[2-(5-formylthiophen-2-yl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide;N-[2-[5-methoxy-2-(5-methylthiophen-2-yl)-1H-indol-3-yl]ethyl]acetamide;N-[2-[5-methoxy-2-(2,3,5,6-tetramethylphenyl)-1H-indol-3-yl]ethyl]acetamide;N-[2-(5-methoxy-2-thiophen-3-yl-1H-indol-3-yl)ethyl]acetamide |
| SMILES | COc1ccc2[nH]c(-c3c(C)c(C)cc(C)c3C)c(CCNC(C)=O)c2c1.COc1ccc2[nH]c(-c3cc4ccccc4o3)c(CCNC(C)=O)c2c1.COc1ccc2[nH]c(-c3cc4ccccc4s3)c(CCNC(C)=O)c2c1.COc1ccc2[nH]c(-c3ccc(C)s3)c(CCNC(C)=O)c2c1.COc1ccc2[nH]c(-c3ccc(C=O)s3)c(CCNC(C)=O)c2c1.COc1ccc2[nH]c(-c3ccc(Cl)s3)c(CCNC(C)=O)c2c1.COc1ccc2[nH]c(-c3ccsc3)c(CCNC(C)=O)c2c1.COc1ccc2[nH]c(-c3ccsc3C=O)c(CCNC(C)=O)c2c1.COc1ccc2[nH]c(-c3csc4ccccc34)c(CCNC(C)=O)c2c1.COc1ccc2[nH]c(-c3sccc3C=O)c(CCNC(C)=O)c2c1 |
| InChI | InChI=1S/C23H28N2O2.C21H20N2O3.2C21H20N2O2S.3C18H18N2O3S.C18H20N2O2S.C17H17ClN2O2S.C17H18N2O2S/c1-13-11-14(2)16(4)22(15(13)3)23-19(9-10-24-17(5)26)20-12-18(27-6)7-8-21(20)25-23;1-13(24)22-10-9-16-17-12-15(25-2)7-8-18(17)23-21(16)20-11-14-5-3-4-6-19(14)26-20;1-13(24)22-10-9-16-17-11-14(25-2)7-8-19(17)23-21(16)18-12-26-20-6-4-3-5-15(18)20;1-13(24)22-10-9-16-17-12-15(25-2)7-8-18(17)23-21(16)20-11-14-5-3-4-6-19(14)26-20;1-11(22)19-8-7-14-15-9-12(23-2)3-5-16(15)20-18(14)17-6-4-13(10-21)24-17;1-11(22)19-7-5-14-15-9-13(23-2)3-4-16(15)20-17(14)18-12(10-21)6-8-24-18;1-11(22)19-7-5-13-15-9-12(23-2)3-4-16(15)20-18(13)14-6-8-24-17(14)10-21;1-11-4-7-17(23-11)18-14(8-9-19-12(2)21)15-10-13(22-3)5-6-16(15)20-18;1-10(21)19-8-7-12-13-9-11(22-2)3-4-14(13)20-17(12)15-5-6-16(18)23-15;1-11(20)18-7-5-14-15-9-13(21-2)3-4-16(15)19-17(14)12-6-8-22-10-12/h7-8,11-12,25H,9-10H2,1-6H3,(H,24,26);3*3-8,11-12,23H,9-10H2,1-2H3,(H,22,24);3-6,9-10,20H,7-8H2,1-2H3,(H,19,22);2*3-4,6,8-10,20H,5,7H2,1-2H3,(H,19,22);4-7,10,20H,8-9H2,1-3H3,(H,19,21);3-6,9,20H,7-8H2,1-2H3,(H,19,21);3-4,6,8-10,19H,5,7H2,1-2H3,(H,18,20) |
| InChIKey | MBDLERSAASMIDV-UHFFFAOYSA-N |
| XLogP | 40.40 |
| TPSA | 605.55 Ų |
| H-Bond Donors | 20 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 53 |
| Heavy Atoms | 245 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3460.79 |
| LogP ≤ 5 | 40.40 |
| H-Bond Donors ≤ 5 | 20 |
| H-Bond Acceptors ≤ 10 | 32 |
| Structural Alerts | {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'} |
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