C191H179F2N21O21S4 — CID 159415816
2-[2-(benzamidomethyl)phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-(benzenesulfonamidomethyl)phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-[[(3-fluorophenyl)sulfonylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-[[(4-fluorophenyl)sulfonylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;(4-methoxyphenyl) N-[[2-[2-(pyridin-2-ylmethylcarbamoyl)phenyl]phenyl]methyl]carbamate;2-[2-[(propan-2-ylsulfonylamino)methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide (PubChem CID 159415816) has the molecular formula C191H179F2N21O21S4 and a molecular weight of 3270.92 g/mol. Its IUPAC name is 2-[2-(benzamidomethyl)phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-(benzenesulfonamidomethyl)phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-[[(3-fluorophenyl)sulfonylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-[[(4-fluorophenyl)sulfonylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;(4-methoxyphenyl) N-[[2-[2-(pyridin-2-ylmethylcarbamoyl)phenyl]phenyl]methyl]carbamate;2-[2-[(propan-2-ylsulfonylamino)methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide.
| Compound Name | 2-[2-(benzamidomethyl)phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-(benzenesulfonamidomethyl)phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-[[(3-fluorophenyl)sulfonylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-[[(4-fluorophenyl)sulfonylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;(4-methoxyphenyl) N-[[2-[2-(pyridin-2-ylmethylcarbamoyl)phenyl]phenyl]methyl]carbamate;2-[2-[(propan-2-ylsulfonylamino)methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide |
|---|---|
| PubChem CID | 159415816 |
| Molecular Formula | C191H179F2N21O21S4 |
| Molecular Weight | 3270.92 g/mol |
| Exact Mass | 3268.24 |
| IUPAC Name | 2-[2-(benzamidomethyl)phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-(benzenesulfonamidomethyl)phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-[[(3-fluorophenyl)sulfonylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-[[(4-fluorophenyl)sulfonylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;(4-methoxyphenyl) N-[[2-[2-(pyridin-2-ylmethylcarbamoyl)phenyl]phenyl]methyl]carbamate;2-[2-[(propan-2-ylsulfonylamino)methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide |
| SMILES | CC(C)S(=O)(=O)NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1.COc1ccc(CC(=O)NCc2ccccc2-c2ccccc2C(=O)NCCc2ccccn2)cc1.COc1ccc(OC(=O)NCc2ccccc2-c2ccccc2C(=O)NCc2ccccn2)cc1.O=C(NCCc1ccccn1)c1ccccc1-c1ccccc1CNS(=O)(=O)c1ccc(F)cc1.O=C(NCCc1ccccn1)c1ccccc1-c1ccccc1CNS(=O)(=O)c1cccc(F)c1.O=C(NCCc1ccccn1)c1ccccc1-c1ccccc1CNS(=O)(=O)c1ccccc1.O=C(NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)c1ccccc1 |
| InChI | InChI=1S/C30H29N3O3.C28H25N3O4.C28H25N3O2.2C27H24FN3O3S.C27H25N3O3S.C24H27N3O3S/c1-36-25-15-13-22(14-16-25)20-29(34)33-21-23-8-2-3-10-26(23)27-11-4-5-12-28(27)30(35)32-19-17-24-9-6-7-18-31-24;1-34-22-13-15-23(16-14-22)35-28(33)31-18-20-8-2-3-10-24(20)25-11-4-5-12-26(25)27(32)30-19-21-9-6-7-17-29-21;32-27(21-10-2-1-3-11-21)31-20-22-12-4-5-14-24(22)25-15-6-7-16-26(25)28(33)30-19-17-23-13-8-9-18-29-23;28-21-9-7-11-23(18-21)35(33,34)31-19-20-8-1-2-12-24(20)25-13-3-4-14-26(25)27(32)30-17-15-22-10-5-6-16-29-22;28-21-12-14-23(15-13-21)35(33,34)31-19-20-7-1-2-9-24(20)25-10-3-4-11-26(25)27(32)30-18-16-22-8-5-6-17-29-22;31-27(29-19-17-22-11-8-9-18-28-22)26-16-7-6-15-25(26)24-14-5-4-10-21(24)20-30-34(32,33)23-12-2-1-3-13-23;1-18(2)31(29,30)27-17-19-9-3-4-11-21(19)22-12-5-6-13-23(22)24(28)26-16-14-20-10-7-8-15-25-20/h2-16,18H,17,19-21H2,1H3,(H,32,35)(H,33,34);2-17H,18-19H2,1H3,(H,30,32)(H,31,33);1-16,18H,17,19-20H2,(H,30,33)(H,31,32);1-14,16,18,31H,15,17,19H2,(H,30,32);1-15,17,31H,16,18-19H2,(H,30,32);1-16,18,30H,17,19-20H2,(H,29,31);3-13,15,18,27H,14,16-17H2,1-2H3,(H,26,28) |
| InChIKey | LPDLTBVTXYDWOL-UHFFFAOYSA-N |
| XLogP | 30.64 |
| TPSA | 593.60 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 62 |
| Heavy Atoms | 239 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3270.92 |
| LogP ≤ 5 | 30.64 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 28 |