C189H198N24O30S9 — CID 158136004
N-benzyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-propan-2-ylacetamide;N-(furan-2-ylmethyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(1-thiophen-2-ylethyl)acetamide;N-(furan-2-ylmethyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;methane;N-methyl-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(2-pyridin-3-ylethyl)acetamide;N-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide;2-oxo-N-(2-oxo-1,4-diphenylbutyl)-3,4-dihydro-1H-quinoline-6-sulfonamide;2-oxo-N-[2-oxo-1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3,4-dihydro-1H-quinoline-6-sulfonamide (PubChem CID 158136004) has the molecular formula C189H198N24O30S9 and a molecular weight of 3574.40 g/mol. Its IUPAC name is N-benzyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-propan-2-ylacetamide;N-(furan-2-ylmethyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(1-thiophen-2-ylethyl)acetamide;N-(furan-2-ylmethyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;methane;N-methyl-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(2-pyridin-3-ylethyl)acetamide;N-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide;2-oxo-N-(2-oxo-1,4-diphenylbutyl)-3,4-dihydro-1H-quinoline-6-sulfonamide;2-oxo-N-[2-oxo-1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3,4-dihydro-1H-quinoline-6-sulfonamide.
| Compound Name | N-benzyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-propan-2-ylacetamide;N-(furan-2-ylmethyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(1-thiophen-2-ylethyl)acetamide;N-(furan-2-ylmethyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;methane;N-methyl-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(2-pyridin-3-ylethyl)acetamide;N-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide;2-oxo-N-(2-oxo-1,4-diphenylbutyl)-3,4-dihydro-1H-quinoline-6-sulfonamide;2-oxo-N-[2-oxo-1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3,4-dihydro-1H-quinoline-6-sulfonamide |
|---|---|
| PubChem CID | 158136004 |
| Molecular Formula | C189H198N24O30S9 |
| Molecular Weight | 3574.40 g/mol |
| Exact Mass | 3571.22 |
| IUPAC Name | N-benzyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-propan-2-ylacetamide;N-(furan-2-ylmethyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(1-thiophen-2-ylethyl)acetamide;N-(furan-2-ylmethyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(thiophen-2-ylmethyl)acetamide;methane;N-methyl-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-phenyl-N-(2-pyridin-3-ylethyl)acetamide;N-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide;2-oxo-N-(2-oxo-1,4-diphenylbutyl)-3,4-dihydro-1H-quinoline-6-sulfonamide;2-oxo-N-[2-oxo-1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3,4-dihydro-1H-quinoline-6-sulfonamide |
| SMILES | C.C.C.CC(C)N(Cc1ccccc1)C(=O)C(NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1.CC(c1cccs1)N(Cc1ccco1)C(=O)C(NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1.CN(CCc1cccnc1)C(=O)C(NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)c1ccccc1.Cc1ccc(N2CCN(C(=O)C(NS(=O)(=O)c3ccc4c(c3)CCC(=O)N4)c3ccccc3)CC2)cc1.O=C1CCc2cc(S(=O)(=O)NC(C(=O)CCc3ccccc3)c3ccccc3)ccc2N1.O=C1CCc2cc(S(=O)(=O)NC(C(=O)N(Cc3ccco3)Cc3cccs3)c3ccccc3)ccc2N1.O=C1CCc2cc(S(=O)(=O)NC(C(=O)N3CCN(c4ccccn4)CC3)c3ccccc3)ccc2N1 |
| InChI | InChI=1S/C28H30N4O4S.C28H27N3O5S2.C27H25N3O5S2.C27H29N3O4S.C26H27N5O4S.C25H24N4O4S.C25H24N2O4S.3CH4/c1-20-7-10-23(11-8-20)31-15-17-32(18-16-31)28(34)27(21-5-3-2-4-6-21)30-37(35,36)24-12-13-25-22(19-24)9-14-26(33)29-25;1-19(25-10-6-16-37-25)31(18-22-9-5-15-36-22)28(33)27(20-7-3-2-4-8-20)30-38(34,35)23-12-13-24-21(17-23)11-14-26(32)29-24;31-25-13-10-20-16-23(11-12-24(20)28-25)37(33,34)29-26(19-6-2-1-3-7-19)27(32)30(17-21-8-4-14-35-21)18-22-9-5-15-36-22;1-19(2)30(18-20-9-5-3-6-10-20)27(32)26(21-11-7-4-8-12-21)29-35(33,34)23-14-15-24-22(17-23)13-16-25(31)28-24;32-24-12-9-20-18-21(10-11-22(20)28-24)36(34,35)29-25(19-6-2-1-3-7-19)26(33)31-16-14-30(15-17-31)23-8-4-5-13-27-23;1-29(15-13-18-6-5-14-26-17-18)25(31)24(19-7-3-2-4-8-19)28-34(32,33)21-10-11-22-20(16-21)9-12-23(30)27-22;28-23(15-11-18-7-3-1-4-8-18)25(19-9-5-2-6-10-19)27-32(30,31)21-13-14-22-20(17-21)12-16-24(29)26-22;;;/h2-8,10-13,19,27,30H,9,14-18H2,1H3,(H,29,33);2-10,12-13,15-17,19,27,30H,11,14,18H2,1H3,(H,29,32);1-9,11-12,14-16,26,29H,10,13,17-18H2,(H,28,31);3-12,14-15,17,19,26,29H,13,16,18H2,1-2H3,(H,28,31);1-8,10-11,13,18,25,29H,9,12,14-17H2,(H,28,32);2-12,14,16-17,24,28H,13,15H2,1H3,(H,27,30);1-10,13-14,17,25,27H,11-12,15-16H2,(H,26,29);3*1H4 |
| InChIKey | FTIYFRJZJRRNOK-UHFFFAOYSA-N |
| XLogP | 27.47 |
| TPSA | 728.12 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 54 |
| Heavy Atoms | 252 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3574.40 |
| LogP ≤ 5 | 27.47 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 36 |
| Structural Alerts | {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'} |
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