C103H100N14O17S12 — CID 167567407
2-methoxy-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-4-amine;4-methoxy-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine;6-methoxy-4-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine;4-[5-methoxy-6-(thiophen-2-ylmethylamino)pyrazin-2-yl]benzenesulfonamide;3-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)aniline;4-[6-(thiophen-2-ylmethoxy)pyrazin-2-yl]benzenesulfonamide (PubChem CID 167567407) has the molecular formula C103H100N14O17S12 and a molecular weight of 2190.82 g/mol. Its IUPAC name is 2-methoxy-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-4-amine;4-methoxy-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine;6-methoxy-4-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine;4-[5-methoxy-6-(thiophen-2-ylmethylamino)pyrazin-2-yl]benzenesulfonamide;3-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)aniline;4-[6-(thiophen-2-ylmethoxy)pyrazin-2-yl]benzenesulfonamide.
| Compound Name | 2-methoxy-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-4-amine;4-methoxy-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine;6-methoxy-4-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine;4-[5-methoxy-6-(thiophen-2-ylmethylamino)pyrazin-2-yl]benzenesulfonamide;3-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)aniline;4-[6-(thiophen-2-ylmethoxy)pyrazin-2-yl]benzenesulfonamide |
|---|---|
| PubChem CID | 167567407 |
| Molecular Formula | C103H100N14O17S12 |
| Molecular Weight | 2190.82 g/mol |
| Exact Mass | 2188.40 |
| IUPAC Name | 2-methoxy-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-4-amine;4-methoxy-6-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine;6-methoxy-4-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine;4-[5-methoxy-6-(thiophen-2-ylmethylamino)pyrazin-2-yl]benzenesulfonamide;3-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)aniline;4-[6-(thiophen-2-ylmethoxy)pyrazin-2-yl]benzenesulfonamide |
| SMILES | COc1cc(-c2ccc(S(C)(=O)=O)cc2)cc(NCc2cccs2)n1.COc1cc(NCc2cccs2)cc(-c2ccc(S(C)(=O)=O)cc2)n1.COc1cc(NCc2cccs2)nc(-c2ccc(S(C)(=O)=O)cc2)c1.COc1ncc(-c2ccc(S(N)(=O)=O)cc2)nc1NCc1cccs1.CS(=O)(=O)c1ccc(-c2cccc(NCc3cccs3)c2)cc1.NS(=O)(=O)c1ccc(-c2cncc(OCc3cccs3)n2)cc1 |
| InChI | InChI=1S/3C18H18N2O3S2.C18H17NO2S2.C16H16N4O3S2.C15H13N3O3S2/c1-23-14-10-17(13-5-7-16(8-6-13)25(2,21)22)20-18(11-14)19-12-15-4-3-9-24-15;1-23-18-11-14(19-12-15-4-3-9-24-15)10-17(20-18)13-5-7-16(8-6-13)25(2,21)22;1-23-18-11-14(13-5-7-16(8-6-13)25(2,21)22)10-17(20-18)19-12-15-4-3-9-24-15;1-23(20,21)18-9-7-14(8-10-18)15-4-2-5-16(12-15)19-13-17-6-3-11-22-17;1-23-16-15(18-9-12-3-2-8-24-12)20-14(10-19-16)11-4-6-13(7-5-11)25(17,21)22;16-23(19,20)13-5-3-11(4-6-13)14-8-17-9-15(18-14)21-10-12-2-1-7-22-12/h3*3-11H,12H2,1-2H3,(H,19,20);2-12,19H,13H2,1H3;2-8,10H,9H2,1H3,(H,18,20)(H2,17,21,22);1-9H,10H2,(H2,16,19,20) |
| InChIKey | FLRDQGBWUHTDID-UHFFFAOYSA-N |
| XLogP | 20.84 |
| TPSA | 453.41 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 146 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2190.82 |
| LogP ≤ 5 | 20.84 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 35 |