C143H129F2N15O17S5 — CID 160920536
(2R)-2-(3-fluorophenyl)-N-(furan-2-ylmethyl)-2-[(2-oxo-1H-quinolin-6-yl)methylamino]-N-(thiophen-2-ylmethyl)acetamide;(2S)-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-[(2-oxo-1H-quinolin-6-yl)methylamino]-N-(thiophen-2-ylmethyl)acetamide;(2R)-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)methylamino]-N-(thiophen-2-ylmethyl)acetamide;(2R)-N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)methylamino]-N-(thiophen-2-ylmethyl)acetamide;N-(furan-2-ylmethyl)-2-(2-methylphenyl)-2-[(2-oxo-1H-quinolin-6-yl)methylamino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 160920536) has the molecular formula C143H129F2N15O17S5 and a molecular weight of 2528.02 g/mol. Its IUPAC name is (2R)-2-(3-fluorophenyl)-N-(furan-2-ylmethyl)-2-[(2-oxo-1H-quinolin-6-yl)methylamino]-N-(thiophen-2-ylmethyl)acetamide;(2S)-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-[(2-oxo-1H-quinolin-6-yl)methylamino]-N-(thiophen-2-ylmethyl)acetamide;(2R)-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)methylamino]-N-(thiophen-2-ylmethyl)acetamide;(2R)-N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)methylamino]-N-(thiophen-2-ylmethyl)acetamide;N-(furan-2-ylmethyl)-2-(2-methylphenyl)-2-[(2-oxo-1H-quinolin-6-yl)methylamino]-N-(thiophen-2-ylmethyl)acetamide.
| Compound Name | (2R)-2-(3-fluorophenyl)-N-(furan-2-ylmethyl)-2-[(2-oxo-1H-quinolin-6-yl)methylamino]-N-(thiophen-2-ylmethyl)acetamide;(2S)-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-[(2-oxo-1H-quinolin-6-yl)methylamino]-N-(thiophen-2-ylmethyl)acetamide;(2R)-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)methylamino]-N-(thiophen-2-ylmethyl)acetamide;(2R)-N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)methylamino]-N-(thiophen-2-ylmethyl)acetamide;N-(furan-2-ylmethyl)-2-(2-methylphenyl)-2-[(2-oxo-1H-quinolin-6-yl)methylamino]-N-(thiophen-2-ylmethyl)acetamide |
|---|---|
| PubChem CID | 160920536 |
| Molecular Formula | C143H129F2N15O17S5 |
| Molecular Weight | 2528.02 g/mol |
| Exact Mass | 2525.83 |
| IUPAC Name | (2R)-2-(3-fluorophenyl)-N-(furan-2-ylmethyl)-2-[(2-oxo-1H-quinolin-6-yl)methylamino]-N-(thiophen-2-ylmethyl)acetamide;(2S)-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-[(2-oxo-1H-quinolin-6-yl)methylamino]-N-(thiophen-2-ylmethyl)acetamide;(2R)-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)methylamino]-N-(thiophen-2-ylmethyl)acetamide;(2R)-N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)methylamino]-N-(thiophen-2-ylmethyl)acetamide;N-(furan-2-ylmethyl)-2-(2-methylphenyl)-2-[(2-oxo-1H-quinolin-6-yl)methylamino]-N-(thiophen-2-ylmethyl)acetamide |
| SMILES | COc1ccc([C@@H](NCc2ccc3[nH]c(=O)ccc3c2)C(=O)N(Cc2ccco2)Cc2cccs2)cc1.COc1cccc([C@@H](NCc2ccc3[nH]c(=O)ccc3c2)C(=O)N(Cc2ccco2)Cc2cccs2)c1.Cc1ccccc1C(NCc1ccc2[nH]c(=O)ccc2c1)C(=O)N(Cc1ccco1)Cc1cccs1.O=C([C@@H](NCc1ccc2[nH]c(=O)ccc2c1)c1ccc(F)cc1)N(Cc1ccco1)Cc1cccs1.O=C([C@H](NCc1ccc2[nH]c(=O)ccc2c1)c1cccc(F)c1)N(Cc1ccco1)Cc1cccs1 |
| InChI | InChI=1S/2C29H27N3O4S.C29H27N3O3S.2C28H24FN3O3S/c1-35-23-6-2-5-22(16-23)28(30-17-20-9-11-26-21(15-20)10-12-27(33)31-26)29(34)32(18-24-7-3-13-36-24)19-25-8-4-14-37-25;1-35-23-10-7-21(8-11-23)28(30-17-20-6-12-26-22(16-20)9-13-27(33)31-26)29(34)32(18-24-4-2-14-36-24)19-25-5-3-15-37-25;1-20-6-2-3-9-25(20)28(30-17-21-10-12-26-22(16-21)11-13-27(33)31-26)29(34)32(18-23-7-4-14-35-23)19-24-8-5-15-36-24;29-22-5-1-4-21(15-22)27(30-16-19-8-10-25-20(14-19)9-11-26(33)31-25)28(34)32(17-23-6-2-12-35-23)18-24-7-3-13-36-24;29-22-9-6-20(7-10-22)27(30-16-19-5-11-25-21(15-19)8-12-26(33)31-25)28(34)32(17-23-3-1-13-35-23)18-24-4-2-14-36-24/h2*2-16,28,30H,17-19H2,1H3,(H,31,33);2-16,28,30H,17-19H2,1H3,(H,31,33);2*1-15,27,30H,16-18H2,(H,31,33)/t2*28-;;2*27-/m11.10/s1 |
| InChIKey | SRYWEXUPUGOTNP-YDIBYMGHSA-N |
| XLogP | 26.82 |
| TPSA | 410.16 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 47 |
| Heavy Atoms | 182 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2528.02 |
| LogP ≤ 5 | 26.82 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 27 |