C95H72F4N12O4S4 — CID 160933521
N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-naphthalen-2-ylacetamide;N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-phenylacetamide;N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]-4-phenylbutanamide;N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]-3-phenylpropanamide (PubChem CID 160933521) has the molecular formula C95H72F4N12O4S4 and a molecular weight of 1649.96 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-naphthalen-2-ylacetamide;N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-phenylacetamide;N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]-4-phenylbutanamide;N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]-3-phenylpropanamide.
| Compound Name | N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-naphthalen-2-ylacetamide;N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-phenylacetamide;N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]-4-phenylbutanamide;N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]-3-phenylpropanamide |
|---|---|
| PubChem CID | 160933521 |
| Molecular Formula | C95H72F4N12O4S4 |
| Molecular Weight | 1649.96 g/mol |
| Exact Mass | 1648.46 |
| IUPAC Name | N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-naphthalen-2-ylacetamide;N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]-2-phenylacetamide;N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]-4-phenylbutanamide;N-[5-(4-fluorophenyl)-3-thiophen-2-ylpyrazin-2-yl]-3-phenylpropanamide |
| SMILES | O=C(CCCc1ccccc1)Nc1ncc(-c2ccc(F)cc2)nc1-c1cccs1.O=C(CCc1ccccc1)Nc1ncc(-c2ccc(F)cc2)nc1-c1cccs1.O=C(Cc1ccc2ccccc2c1)Nc1ncc(-c2ccc(F)cc2)nc1-c1cccs1.O=C(Cc1ccccc1)Nc1ncc(-c2ccc(F)cc2)nc1-c1cccs1 |
| InChI | InChI=1S/C26H18FN3OS.C24H20FN3OS.C23H18FN3OS.C22H16FN3OS/c27-21-11-9-19(10-12-21)22-16-28-26(25(29-22)23-6-3-13-32-23)30-24(31)15-17-7-8-18-4-1-2-5-20(18)14-17;25-19-13-11-18(12-14-19)20-16-26-24(23(27-20)21-9-5-15-30-21)28-22(29)10-4-8-17-6-2-1-3-7-17;24-18-11-9-17(10-12-18)19-15-25-23(22(26-19)20-7-4-14-29-20)27-21(28)13-8-16-5-2-1-3-6-16;23-17-10-8-16(9-11-17)18-14-24-22(21(25-18)19-7-4-12-28-19)26-20(27)13-15-5-2-1-3-6-15/h1-14,16H,15H2,(H,28,30,31);1-3,5-7,9,11-16H,4,8,10H2,(H,26,28,29);1-7,9-12,14-15H,8,13H2,(H,25,27,28);1-12,14H,13H2,(H,24,26,27) |
| InChIKey | STOPGPAGNHDNMU-UHFFFAOYSA-N |
| XLogP | 23.09 |
| TPSA | 219.52 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 119 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1649.96 |
| LogP ≤ 5 | 23.09 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 16 |