C145H170F18N12O40S12 — CID 159938104
5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-(oxan-4-ylsulfonyl)piperidin-4-yl]methoxy]benzamide;5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]methoxy]benzamide;5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methoxy]benzamide;5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-[[1-(oxan-4-ylsulfonyl)piperidin-4-yl]methoxy]benzamide;5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]methoxy]benzamide;5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-[[1-(3,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]methoxy]benzamide (PubChem CID 159938104) has the molecular formula C145H170F18N12O40S12 and a molecular weight of 3447.77 g/mol. Its IUPAC name is 5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-(oxan-4-ylsulfonyl)piperidin-4-yl]methoxy]benzamide;5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]methoxy]benzamide;5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methoxy]benzamide;5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-[[1-(oxan-4-ylsulfonyl)piperidin-4-yl]methoxy]benzamide;5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]methoxy]benzamide;5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-[[1-(3,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]methoxy]benzamide.
| Compound Name | 5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-(oxan-4-ylsulfonyl)piperidin-4-yl]methoxy]benzamide;5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]methoxy]benzamide;5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methoxy]benzamide;5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-[[1-(oxan-4-ylsulfonyl)piperidin-4-yl]methoxy]benzamide;5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]methoxy]benzamide;5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-[[1-(3,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]methoxy]benzamide |
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| PubChem CID | 159938104 |
| Molecular Formula | C145H170F18N12O40S12 |
| Molecular Weight | 3447.77 g/mol |
| Exact Mass | 3444.80 |
| IUPAC Name | 5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-(oxan-4-ylsulfonyl)piperidin-4-yl]methoxy]benzamide;5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]methoxy]benzamide;5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methoxy]benzamide;5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-[[1-(oxan-4-ylsulfonyl)piperidin-4-yl]methoxy]benzamide;5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]methoxy]benzamide;5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-[[1-(3,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]methoxy]benzamide |
| SMILES | CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(S(=O)(=O)C3CCOCC3)CC2)cc1F.CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(S(=O)(=O)c3cc(F)c(F)c(F)c3)CC2)cc1F.CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)cc1F.O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OCC2CCN(S(=O)(=O)C3CCOCC3)CC2)cc1F.O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OCC2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)cc1F.O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OCC2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1F |
| InChI | InChI=1S/C26H28F4N2O7S2.C26H28F4N2O6S2.C24H26F4N2O7S2.C24H33FN2O7S2.C23H24F4N2O6S2.C22H31FN2O7S2/c27-23-14-24(21(17-1-2-17)13-22(23)25(33)31-40(34,35)19-7-8-19)38-15-16-9-11-32(12-10-16)41(36,37)20-5-3-18(4-6-20)39-26(28,29)30;27-23-14-24(21(17-4-5-17)13-22(23)25(33)31-39(34,35)19-6-7-19)38-15-16-8-10-32(11-9-16)40(36,37)20-3-1-2-18(12-20)26(28,29)30;1-38(32,33)29-23(31)20-12-19(16-2-3-16)22(13-21(20)25)36-14-15-8-10-30(11-9-15)39(34,35)18-6-4-17(5-7-18)37-24(26,27)28;25-22-14-23(20(17-1-2-17)13-21(22)24(28)26-35(29,30)18-3-4-18)34-15-16-5-9-27(10-6-16)36(31,32)19-7-11-33-12-8-19;1-36(31,32)28-23(30)17-10-16(14-2-3-14)21(11-18(17)24)35-12-13-4-6-29(7-5-13)37(33,34)15-8-19(25)22(27)20(26)9-15;1-33(27,28)24-22(26)19-12-18(16-2-3-16)21(13-20(19)23)32-14-15-4-8-25(9-5-15)34(29,30)17-6-10-31-11-7-17/h3-6,13-14,16-17,19H,1-2,7-12,15H2,(H,31,33);1-3,12-14,16-17,19H,4-11,15H2,(H,31,33);4-7,12-13,15-16H,2-3,8-11,14H2,1H3,(H,29,31);13-14,16-19H,1-12,15H2,(H,26,28);8-11,13-14H,2-7,12H2,1H3,(H,28,30);12-13,15-17H,2-11,14H2,1H3,(H,24,26) |
| InChIKey | OANFOMDLKKEFRU-UHFFFAOYSA-N |
| XLogP | 20.30 |
| TPSA | 696.02 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 40 |
| Rotatable Bonds | 53 |
| Heavy Atoms | 227 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3447.77 |
| LogP ≤ 5 | 20.30 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 40 |
| Structural Alerts | {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'} |
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