C146H147Cl2FN18O25S8 — CID 158017747
3-chloro-6-fluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;5-chloro-3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;1-(2,7-dimethylquinolin-3-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoxaline-2-carboxamide;3-(4-pyrrolidin-1-ylsulfonylphenyl)-1-quinolin-8-ylpropan-1-one (PubChem CID 158017747) has the molecular formula C146H147Cl2FN18O25S8 and a molecular weight of 2900.32 g/mol. Its IUPAC name is 3-chloro-6-fluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;5-chloro-3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;1-(2,7-dimethylquinolin-3-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoxaline-2-carboxamide;3-(4-pyrrolidin-1-ylsulfonylphenyl)-1-quinolin-8-ylpropan-1-one.
| Compound Name | 3-chloro-6-fluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;5-chloro-3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;1-(2,7-dimethylquinolin-3-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoxaline-2-carboxamide;3-(4-pyrrolidin-1-ylsulfonylphenyl)-1-quinolin-8-ylpropan-1-one |
|---|---|
| PubChem CID | 158017747 |
| Molecular Formula | C146H147Cl2FN18O25S8 |
| Molecular Weight | 2900.32 g/mol |
| Exact Mass | 2896.79 |
| IUPAC Name | 3-chloro-6-fluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;5-chloro-3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;1-(2,7-dimethylquinolin-3-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoxaline-2-carboxamide;3-(4-pyrrolidin-1-ylsulfonylphenyl)-1-quinolin-8-ylpropan-1-one |
| SMILES | Cc1c(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)oc2ccc(Cl)cc12.Cc1ccc2cc(C(=O)CCc3ccc(S(=O)(=O)N4CCCC4)cc3)c(C)nc2c1.O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc2cccnc12.O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc2ccccc2o1.O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc2nccn2c1.O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cnc2ccccc2n1.O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1sc2cc(F)ccc2c1Cl |
| InChI | InChI=1S/C24H26N2O3S.C22H22N2O3S.C21H21ClN2O5S.C20H18ClFN2O4S2.C20H20N4O3S.C20H20N2O4S.C19H20N4O3S/c1-17-5-9-20-16-22(18(2)25-23(20)15-17)24(27)12-8-19-6-10-21(11-7-19)30(28,29)26-13-3-4-14-26;25-21(20-7-3-5-18-6-4-14-23-22(18)20)13-10-17-8-11-19(12-9-17)28(26,27)24-15-1-2-16-24;1-14-18-12-16(22)4-7-19(18)29-20(14)21(25)23-13-15-2-5-17(6-3-15)30(26,27)24-8-10-28-11-9-24;21-18-16-6-3-14(22)11-17(16)29-19(18)20(25)23-12-13-1-4-15(5-2-13)30(26,27)24-7-9-28-10-8-24;25-20(19-14-21-17-5-1-2-6-18(17)23-19)22-13-15-7-9-16(10-8-15)28(26,27)24-11-3-4-12-24;23-20(19-13-16-5-1-2-6-18(16)26-19)21-14-15-7-9-17(10-8-15)27(24,25)22-11-3-4-12-22;24-19(16-5-8-18-20-9-12-22(18)14-16)21-13-15-3-6-17(7-4-15)27(25,26)23-10-1-2-11-23/h5-7,9-11,15-16H,3-4,8,12-14H2,1-2H3;3-9,11-12,14H,1-2,10,13,15-16H2;2-7,12H,8-11,13H2,1H3,(H,23,25);1-6,11H,7-10,12H2,(H,23,25);1-2,5-10,14H,3-4,11-13H2,(H,22,25);1-2,5-10,13H,3-4,11-12,14H2,(H,21,23);3-9,12,14H,1-2,10-11,13H2,(H,21,24) |
| InChIKey | FFRHOTRKKYTALM-UHFFFAOYSA-N |
| XLogP | 22.82 |
| TPSA | 554.90 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 37 |
| Heavy Atoms | 200 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2900.32 |
| LogP ≤ 5 | 22.82 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 32 |