C194H162Cl4F12N50O34S6 — CID 159767851
4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methoxypyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methoxypyridine-2-carboxamide;6-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methoxypyrimidine-4-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methoxypyrimidine-4-carboxamide;N-methoxy-4-[3-(phenylcarbamoylamino)phenyl]sulfanylpyrimidine-2-carboxamide;N-methoxy-4-[4-(phenylcarbamoylamino)phenyl]sulfanylpyrimidine-2-carboxamide;N-methoxy-6-[3-(phenylcarbamoylamino)phenyl]sulfanylpyrimidine-4-carboxamide;N-methoxy-6-[4-(phenylcarbamoylamino)phenyl]sulfanylpyrimidine-4-carboxamide;N-methoxy-4-[3-(phenylcarbamoylamino)phenyl]sulfanyl-1,3,5-triazine-2-carboxamide;N-methoxy-4-[4-(phenylcarbamoylamino)phenyl]sulfanyl-1,3,5-triazine-2-carboxamide (PubChem CID 159767851) has the molecular formula C194H162Cl4F12N50O34S6 and a molecular weight of 4299.94 g/mol. Its IUPAC name is 4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methoxypyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methoxypyridine-2-carboxamide;6-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methoxypyrimidine-4-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methoxypyrimidine-4-carboxamide;N-methoxy-4-[3-(phenylcarbamoylamino)phenyl]sulfanylpyrimidine-2-carboxamide;N-methoxy-4-[4-(phenylcarbamoylamino)phenyl]sulfanylpyrimidine-2-carboxamide;N-methoxy-6-[3-(phenylcarbamoylamino)phenyl]sulfanylpyrimidine-4-carboxamide;N-methoxy-6-[4-(phenylcarbamoylamino)phenyl]sulfanylpyrimidine-4-carboxamide;N-methoxy-4-[3-(phenylcarbamoylamino)phenyl]sulfanyl-1,3,5-triazine-2-carboxamide;N-methoxy-4-[4-(phenylcarbamoylamino)phenyl]sulfanyl-1,3,5-triazine-2-carboxamide.
| Compound Name | 4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methoxypyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methoxypyridine-2-carboxamide;6-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methoxypyrimidine-4-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methoxypyrimidine-4-carboxamide;N-methoxy-4-[3-(phenylcarbamoylamino)phenyl]sulfanylpyrimidine-2-carboxamide;N-methoxy-4-[4-(phenylcarbamoylamino)phenyl]sulfanylpyrimidine-2-carboxamide;N-methoxy-6-[3-(phenylcarbamoylamino)phenyl]sulfanylpyrimidine-4-carboxamide;N-methoxy-6-[4-(phenylcarbamoylamino)phenyl]sulfanylpyrimidine-4-carboxamide;N-methoxy-4-[3-(phenylcarbamoylamino)phenyl]sulfanyl-1,3,5-triazine-2-carboxamide;N-methoxy-4-[4-(phenylcarbamoylamino)phenyl]sulfanyl-1,3,5-triazine-2-carboxamide |
|---|---|
| PubChem CID | 159767851 |
| Molecular Formula | C194H162Cl4F12N50O34S6 |
| Molecular Weight | 4299.94 g/mol |
| Exact Mass | 4294.94 |
| IUPAC Name | 4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methoxypyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methoxypyridine-2-carboxamide;6-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methoxypyrimidine-4-carboxamide;6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methoxypyrimidine-4-carboxamide;N-methoxy-4-[3-(phenylcarbamoylamino)phenyl]sulfanylpyrimidine-2-carboxamide;N-methoxy-4-[4-(phenylcarbamoylamino)phenyl]sulfanylpyrimidine-2-carboxamide;N-methoxy-6-[3-(phenylcarbamoylamino)phenyl]sulfanylpyrimidine-4-carboxamide;N-methoxy-6-[4-(phenylcarbamoylamino)phenyl]sulfanylpyrimidine-4-carboxamide;N-methoxy-4-[3-(phenylcarbamoylamino)phenyl]sulfanyl-1,3,5-triazine-2-carboxamide;N-methoxy-4-[4-(phenylcarbamoylamino)phenyl]sulfanyl-1,3,5-triazine-2-carboxamide |
| SMILES | CONC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.CONC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ncn1.CONC(=O)c1cc(Oc2cccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)ccn1.CONC(=O)c1cc(Oc2cccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)ncn1.CONC(=O)c1cc(Sc2ccc(NC(=O)Nc3ccccc3)cc2)ncn1.CONC(=O)c1cc(Sc2cccc(NC(=O)Nc3ccccc3)c2)ncn1.CONC(=O)c1nccc(Sc2ccc(NC(=O)Nc3ccccc3)cc2)n1.CONC(=O)c1nccc(Sc2cccc(NC(=O)Nc3ccccc3)c2)n1.CONC(=O)c1ncnc(Sc2ccc(NC(=O)Nc3ccccc3)cc2)n1.CONC(=O)c1ncnc(Sc2cccc(NC(=O)Nc3ccccc3)c2)n1 |
| InChI | InChI=1S/2C21H16ClF3N4O4.2C20H15ClF3N5O4.4C19H17N5O3S.2C18H16N6O3S/c1-32-29-19(30)18-11-15(8-9-26-18)33-14-5-2-12(3-6-14)27-20(31)28-13-4-7-17(22)16(10-13)21(23,24)25;1-32-29-19(30)18-11-15(7-8-26-18)33-14-4-2-3-12(9-14)27-20(31)28-13-5-6-17(22)16(10-13)21(23,24)25;1-32-29-18(30)16-9-17(26-10-25-16)33-13-5-2-11(3-6-13)27-19(31)28-12-4-7-15(21)14(8-12)20(22,23)24;1-32-29-18(30)16-9-17(26-10-25-16)33-13-4-2-3-11(7-13)27-19(31)28-12-5-6-15(21)14(8-12)20(22,23)24;1-27-24-18(25)16-11-17(21-12-20-16)28-15-9-5-8-14(10-15)23-19(26)22-13-6-3-2-4-7-13;1-27-24-18(25)17-20-11-10-16(23-17)28-15-9-5-8-14(12-15)22-19(26)21-13-6-3-2-4-7-13;1-27-24-18(25)16-11-17(21-12-20-16)28-15-9-7-14(8-10-15)23-19(26)22-13-5-3-2-4-6-13;1-27-24-18(25)17-20-12-11-16(23-17)28-15-9-7-14(8-10-15)22-19(26)21-13-5-3-2-4-6-13;1-27-24-16(25)15-19-11-20-18(23-15)28-14-9-5-8-13(10-14)22-17(26)21-12-6-3-2-4-7-12;1-27-24-16(25)15-19-11-20-18(23-15)28-14-9-7-13(8-10-14)22-17(26)21-12-5-3-2-4-6-12/h2*2-11H,1H3,(H,29,30)(H2,27,28,31);2*2-10H,1H3,(H,29,30)(H2,27,28,31);2-12H,1H3,(H,24,25)(H2,22,23,26);2-12H,1H3,(H,24,25)(H2,21,22,26);2-12H,1H3,(H,24,25)(H2,22,23,26);2-12H,1H3,(H,24,25)(H2,21,22,26);2*2-11H,1H3,(H,24,25)(H2,21,22,26) |
| InChIKey | NFSQKEARMQDEGA-UHFFFAOYSA-N |
| XLogP | 40.88 |
| TPSA | 1089.32 Ų |
| H-Bond Donors | 30 |
| H-Bond Acceptors | 60 |
| Rotatable Bonds | 60 |
| Heavy Atoms | 300 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4299.94 |
| LogP ≤ 5 | 40.88 |
| H-Bond Donors ≤ 5 | 30 |
| H-Bond Acceptors ≤ 10 | 60 |