C142H179N15O17S2 — CID 162186185
N-(1-benzofuran-5-ylmethyl)-2-methylpropan-1-amine;1-(1-benzofuran-5-yl)-N-[(5-methyl-3-pyridinyl)methyl]methanamine;N-[3-[1-benzofuran-5-ylsulfonyl(2-pyridin-3-ylethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-3-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;tert-butyl N-[(2R)-1-[1-benzofuran-5-ylmethyl(pyridin-4-ylmethyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate;N-[3-[3,3-dimethylbutanoyl(2-methylpropyl)amino]propyl]-N-(2-pyridin-3-ylethyl)-1-benzofuran-5-carboxamide (PubChem CID 162186185) has the molecular formula C142H179N15O17S2 and a molecular weight of 2432.22 g/mol. Its IUPAC name is N-(1-benzofuran-5-ylmethyl)-2-methylpropan-1-amine;1-(1-benzofuran-5-yl)-N-[(5-methyl-3-pyridinyl)methyl]methanamine;N-[3-[1-benzofuran-5-ylsulfonyl(2-pyridin-3-ylethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-3-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;tert-butyl N-[(2R)-1-[1-benzofuran-5-ylmethyl(pyridin-4-ylmethyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate;N-[3-[3,3-dimethylbutanoyl(2-methylpropyl)amino]propyl]-N-(2-pyridin-3-ylethyl)-1-benzofuran-5-carboxamide.
| Compound Name | N-(1-benzofuran-5-ylmethyl)-2-methylpropan-1-amine;1-(1-benzofuran-5-yl)-N-[(5-methyl-3-pyridinyl)methyl]methanamine;N-[3-[1-benzofuran-5-ylsulfonyl(2-pyridin-3-ylethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-3-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;tert-butyl N-[(2R)-1-[1-benzofuran-5-ylmethyl(pyridin-4-ylmethyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate;N-[3-[3,3-dimethylbutanoyl(2-methylpropyl)amino]propyl]-N-(2-pyridin-3-ylethyl)-1-benzofuran-5-carboxamide |
|---|---|
| PubChem CID | 162186185 |
| Molecular Formula | C142H179N15O17S2 |
| Molecular Weight | 2432.22 g/mol |
| Exact Mass | 2430.30 |
| IUPAC Name | N-(1-benzofuran-5-ylmethyl)-2-methylpropan-1-amine;1-(1-benzofuran-5-yl)-N-[(5-methyl-3-pyridinyl)methyl]methanamine;N-[3-[1-benzofuran-5-ylsulfonyl(2-pyridin-3-ylethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-3-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;tert-butyl N-[(2R)-1-[1-benzofuran-5-ylmethyl(pyridin-4-ylmethyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate;N-[3-[3,3-dimethylbutanoyl(2-methylpropyl)amino]propyl]-N-(2-pyridin-3-ylethyl)-1-benzofuran-5-carboxamide |
| SMILES | CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N(Cc1ccncc1)Cc1ccc2occc2c1.CC(C)CN(CCCN(CCc1cccnc1)C(=O)c1ccc2occc2c1)C(=O)CC(C)(C)C.CC(C)CN(CCCN(CCc1cccnc1)S(=O)(=O)c1ccc2occc2c1)C(=O)CC(C)(C)C.CC(C)CN(CCCN(Cc1cccnc1)S(=O)(=O)c1ccc2occc2c1)C(=O)CC(C)(C)C.CC(C)CNCc1ccc2occc2c1.Cc1cncc(CNCc2ccc3occc3c2)c1 |
| InChI | InChI=1S/C29H31N3O4.C29H39N3O3.C28H39N3O4S.C27H37N3O4S.C16H16N2O.C13H17NO/c1-29(2,3)36-28(34)31-25(18-21-7-5-4-6-8-21)27(33)32(19-22-11-14-30-15-12-22)20-23-9-10-26-24(17-23)13-16-35-26;1-22(2)21-32(27(33)19-29(3,4)5)15-7-14-31(16-11-23-8-6-13-30-20-23)28(34)25-9-10-26-24(18-25)12-17-35-26;1-22(2)21-30(27(32)19-28(3,4)5)14-7-15-31(16-11-23-8-6-13-29-20-23)36(33,34)25-9-10-26-24(18-25)12-17-35-26;1-21(2)19-29(26(31)17-27(3,4)5)13-7-14-30(20-22-8-6-12-28-18-22)35(32,33)24-9-10-25-23(16-24)11-15-34-25;1-12-6-14(10-17-8-12)11-18-9-13-2-3-16-15(7-13)4-5-19-16;1-10(2)8-14-9-11-3-4-13-12(7-11)5-6-15-13/h4-17,25H,18-20H2,1-3H3,(H,31,34);6,8-10,12-13,17-18,20,22H,7,11,14-16,19,21H2,1-5H3;6,8-10,12-13,17-18,20,22H,7,11,14-16,19,21H2,1-5H3;6,8-12,15-16,18,21H,7,13-14,17,19-20H2,1-5H3;2-8,10,18H,9,11H2,1H3;3-7,10,14H,8-9H2,1-2H3/t25-;;;;;/m1...../s1 |
| InChIKey | ZPRJQFIKFDITOQ-PZHSBIEDSA-N |
| XLogP | 28.62 |
| TPSA | 381.99 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 50 |
| Heavy Atoms | 176 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2432.22 |
| LogP ≤ 5 | 28.62 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 24 |