C187H260N18O11S2 — CID 158586244
2-tert-butyl-1-(2-methoxyethyl)indole;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;1-ethylsulfonyl-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;methyl 1-methyl-2-propan-2-ylindole-6-carboxylate;[(Z)-4-methylpent-2-en-2-yl]benzene;3-methyl-1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylindazole;4-propan-2-ylbenzenesulfonamide (PubChem CID 158586244) has the molecular formula C187H260N18O11S2 and a molecular weight of 3000.39 g/mol. Its IUPAC name is 2-tert-butyl-1-(2-methoxyethyl)indole;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;1-ethylsulfonyl-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;methyl 1-methyl-2-propan-2-ylindole-6-carboxylate;[(Z)-4-methylpent-2-en-2-yl]benzene;3-methyl-1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylindazole;4-propan-2-ylbenzenesulfonamide.
| Compound Name | 2-tert-butyl-1-(2-methoxyethyl)indole;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;1-ethylsulfonyl-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;methyl 1-methyl-2-propan-2-ylindole-6-carboxylate;[(Z)-4-methylpent-2-en-2-yl]benzene;3-methyl-1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylindazole;4-propan-2-ylbenzenesulfonamide |
|---|---|
| PubChem CID | 158586244 |
| Molecular Formula | C187H260N18O11S2 |
| Molecular Weight | 3000.39 g/mol |
| Exact Mass | 2997.98 |
| IUPAC Name | 2-tert-butyl-1-(2-methoxyethyl)indole;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine;2-[(E)-3,3-dimethylbut-1-enyl]pyridine;4-[(E)-3,3-dimethylbut-1-enyl]pyridine;1-ethylsulfonyl-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;methyl 1-methyl-2-propan-2-ylindole-6-carboxylate;[(Z)-4-methylpent-2-en-2-yl]benzene;3-methyl-1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylindazole;4-propan-2-ylbenzenesulfonamide |
| SMILES | C/C(=C/C(C)C)c1ccccc1.CC(C)(C)/C=C/c1ccccn1.CC(C)(C)/C=C/c1ccncc1.CC(C)(C)c1cc2ccccc2n1CCc1ccccc1.CC(C)Oc1cc(C(C)(C)C)cnc1N.CC(C)c1ccc(C(=O)N2CCN(C)CC2)cc1.CC(C)c1ccc(S(N)(=O)=O)cc1.CC(C)c1ccc2nn(C)cc2c1.CCS(=O)(=O)c1cccc(C(C)C)c1.CN1CCN(c2ccc(C(C)(C)C)cn2)CC1.COC(=O)c1ccc2cc(C(C)C)n(C)c2c1.COCCn1c(C(C)(C)C)cc2ccccc21.COc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)o1.Cc1nn([C@@H](C)c2ccccc2)cc1C(C)C |
| InChI | InChI=1S/C20H23N.C15H22N2O.C15H20N2.C15H21NO.C14H23N3.C14H17NO2.C12H20N2O.C12H16.C11H14N2.2C11H15N.C11H16O2S.C9H13NO2S.C9H13NO.C8H12O/c1-20(2,3)19-15-17-11-7-8-12-18(17)21(19)14-13-16-9-5-4-6-10-16;1-12(2)13-4-6-14(7-5-13)15(18)17-10-8-16(3)9-11-17;1-11(2)15-10-17(16-12(15)3)13(4)14-8-6-5-7-9-14;1-15(2,3)14-11-12-7-5-6-8-13(12)16(14)9-10-17-4;1-14(2,3)12-5-6-13(15-11-12)17-9-7-16(4)8-10-17;1-9(2)12-7-10-5-6-11(14(16)17-4)8-13(10)15(12)3;1-8(2)15-10-6-9(12(3,4)5)7-14-11(10)13;1-10(2)9-11(3)12-7-5-4-6-8-12;1-8(2)9-4-5-11-10(6-9)7-13(3)12-11;1-11(2,3)7-4-10-5-8-12-9-6-10;1-11(2,3)8-7-10-6-4-5-9-12-10;1-4-14(12,13)11-7-5-6-10(8-11)9(2)3;1-7(2)8-3-5-9(6-4-8)13(10,11)12;1-7(2)8-4-5-9(11-3)10-6-8;1-6(2)8-5-4-7(3)9-8/h4-12,15H,13-14H2,1-3H3;4-7,12H,8-11H2,1-3H3;5-11,13H,1-4H3;5-8,11H,9-10H2,1-4H3;5-6,11H,7-10H2,1-4H3;5-9H,1-4H3;6-8H,1-5H3,(H2,13,14);4-10H,1-3H3;4-8H,1-3H3;2*4-9H,1-3H3;5-9H,4H2,1-3H3;3-7H,1-2H3,(H2,10,11,12);4-7H,1-3H3;4-6H,1-3H3/b;;;;;;;11-9-;;7-4+;8-7+;;;;/t;;13-;;;;;;;;;;;;/m..0............/s1 |
| InChIKey | HTWAYGOKDGVHEO-WCSYCCSTSA-N |
| XLogP | 44.57 |
| TPSA | 332.36 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 218 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3000.39 |
| LogP ≤ 5 | 44.57 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 27 |