C114H106N20O8S7 — CID 161351758
5-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1-benzothiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(5-methoxy-1H-inden-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(5-phenylthiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide (PubChem CID 161351758) has the molecular formula C114H106N20O8S7 and a molecular weight of 2108.70 g/mol. Its IUPAC name is 5-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1-benzothiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(5-methoxy-1H-inden-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(5-phenylthiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide.
| Compound Name | 5-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1-benzothiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(5-methoxy-1H-inden-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(5-phenylthiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide |
|---|---|
| PubChem CID | 161351758 |
| Molecular Formula | C114H106N20O8S7 |
| Molecular Weight | 2108.70 g/mol |
| Exact Mass | 2106.65 |
| IUPAC Name | 5-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(1-benzothiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(5-methoxy-1H-inden-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide;5-(5-phenylthiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)thiophene-2-carboxamide |
| SMILES | COc1ccc2c(c1)C=C(c1ccc(C(=O)Nc3cnccc3N3CCNCC3)s1)C2.O=C(Nc1cnccc1N1CCNCC1)c1ccc(-c2cc3ccccc3o2)s1.O=C(Nc1cnccc1N1CCNCC1)c1ccc(-c2cc3ccccc3s2)s1.O=C(Nc1cnccc1N1CCNCC1)c1ccc(-c2ccc(-c3ccccc3)s2)s1.O=C(Nc1cnccc1N1CCNCC1)c1ccc(-c2ccc3occc3c2)s1 |
| InChI | InChI=1S/C24H24N4O2S.C24H22N4OS2.2C22H20N4O2S.C22H20N4OS2/c1-30-19-3-2-16-12-18(13-17(16)14-19)22-4-5-23(31-22)24(29)27-20-15-26-7-6-21(20)28-10-8-25-9-11-28;29-24(27-18-16-26-11-10-19(18)28-14-12-25-13-15-28)23-9-8-22(31-23)21-7-6-20(30-21)17-4-2-1-3-5-17;27-22(25-17-14-24-7-5-18(17)26-10-8-23-9-11-26)21-4-3-20(29-21)16-1-2-19-15(13-16)6-12-28-19;27-22(25-16-14-24-8-7-17(16)26-11-9-23-10-12-26)21-6-5-20(29-21)19-13-15-3-1-2-4-18(15)28-19;27-22(25-16-14-24-8-7-17(16)26-11-9-23-10-12-26)20-6-5-19(29-20)21-13-15-3-1-2-4-18(15)28-21/h2-7,13-15,25H,8-12H2,1H3,(H,27,29);1-11,16,25H,12-15H2,(H,27,29);1-7,12-14,23H,8-11H2,(H,25,27);2*1-8,13-14,23H,9-12H2,(H,25,27) |
| InChIKey | VOAAXPSVCKOEMX-UHFFFAOYSA-N |
| XLogP | 22.23 |
| TPSA | 321.81 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 149 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2108.70 |
| LogP ≤ 5 | 22.23 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 30 |