C154H110BrF7IN21O7S7 — CID 157440703
2-(4-bromophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(3,4-difluorophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(4-iodophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(2,3,4,5,6-pentafluorophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-phenyl-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;3-phenyl-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)propanamide;N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)benzamide (PubChem CID 157440703) has the molecular formula C154H110BrF7IN21O7S7 and a molecular weight of 2930.98 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(3,4-difluorophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(4-iodophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(2,3,4,5,6-pentafluorophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-phenyl-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;3-phenyl-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)propanamide;N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)benzamide.
| Compound Name | 2-(4-bromophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(3,4-difluorophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(4-iodophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(2,3,4,5,6-pentafluorophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-phenyl-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;3-phenyl-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)propanamide;N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)benzamide |
|---|---|
| PubChem CID | 157440703 |
| Molecular Formula | C154H110BrF7IN21O7S7 |
| Molecular Weight | 2930.98 g/mol |
| Exact Mass | 2927.51 |
| IUPAC Name | 2-(4-bromophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(3,4-difluorophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(4-iodophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-(2,3,4,5,6-pentafluorophenyl)-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;2-phenyl-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)acetamide;3-phenyl-N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)propanamide;N-(5-phenyl-3-thiophen-2-ylpyrazin-2-yl)benzamide |
| SMILES | O=C(CCc1ccccc1)Nc1ncc(-c2ccccc2)nc1-c1cccs1.O=C(Cc1c(F)c(F)c(F)c(F)c1F)Nc1ncc(-c2ccccc2)nc1-c1cccs1.O=C(Cc1ccc(Br)cc1)Nc1ncc(-c2ccccc2)nc1-c1cccs1.O=C(Cc1ccc(F)c(F)c1)Nc1ncc(-c2ccccc2)nc1-c1cccs1.O=C(Cc1ccc(I)cc1)Nc1ncc(-c2ccccc2)nc1-c1cccs1.O=C(Cc1ccccc1)Nc1ncc(-c2ccccc2)nc1-c1cccs1.O=C(Nc1ncc(-c2ccccc2)nc1-c1cccs1)c1ccccc1 |
| InChI | InChI=1S/C23H19N3OS.C22H16BrN3OS.C22H12F5N3OS.C22H15F2N3OS.C22H16IN3OS.C22H17N3OS.C21H15N3OS/c27-21(14-13-17-8-3-1-4-9-17)26-23-22(20-12-7-15-28-20)25-19(16-24-23)18-10-5-2-6-11-18;23-17-10-8-15(9-11-17)13-20(27)26-22-21(19-7-4-12-28-19)25-18(14-24-22)16-5-2-1-3-6-16;23-16-12(17(24)19(26)20(27)18(16)25)9-15(31)30-22-21(14-7-4-8-32-14)29-13(10-28-22)11-5-2-1-3-6-11;23-16-9-8-14(11-17(16)24)12-20(28)27-22-21(19-7-4-10-29-19)26-18(13-25-22)15-5-2-1-3-6-15;23-17-10-8-15(9-11-17)13-20(27)26-22-21(19-7-4-12-28-19)25-18(14-24-22)16-5-2-1-3-6-16;26-20(14-16-8-3-1-4-9-16)25-22-21(19-12-7-13-27-19)24-18(15-23-22)17-10-5-2-6-11-17;25-21(16-10-5-2-6-11-16)24-20-19(18-12-7-13-26-18)23-17(14-22-20)15-8-3-1-4-9-15/h1-12,15-16H,13-14H2,(H,24,26,27);1-12,14H,13H2,(H,24,26,27);1-8,10H,9H2,(H,28,30,31);1-11,13H,12H2,(H,25,27,28);1-12,14H,13H2,(H,24,26,27);1-13,15H,14H2,(H,23,25,26);1-14H,(H,22,24,25) |
| InChIKey | BRQGTYNXWXZMCB-UHFFFAOYSA-N |
| XLogP | 38.18 |
| TPSA | 384.16 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 198 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2930.98 |
| LogP ≤ 5 | 38.18 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 28 |
| Structural Alerts | {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'} |
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