C182H249N15O15S3 — CID 158163238
1-(benzenesulfonyl)-2-propan-2-ylindole;5-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-1-methyl-2,3-dihydroindole;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;N-cyclopropyl-4-propan-2-ylbenzamide;2-methoxy-5-propan-2-ylpyridine;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;[(Z)-4-methylpent-2-en-2-yl]benzene;2-methyl-N-phenylpropanamide;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methyl-5-propan-2-yl-3H-indol-2-one;2-methyl-1-propan-2-yloxypropane;4-(propan-2-yloxymethyl)pyridine;N-(4-propan-2-ylphenyl)methanesulfonamide (PubChem CID 158163238) has the molecular formula C182H249N15O15S3 and a molecular weight of 2983.28 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-propan-2-ylindole;5-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-1-methyl-2,3-dihydroindole;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;N-cyclopropyl-4-propan-2-ylbenzamide;2-methoxy-5-propan-2-ylpyridine;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;[(Z)-4-methylpent-2-en-2-yl]benzene;2-methyl-N-phenylpropanamide;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methyl-5-propan-2-yl-3H-indol-2-one;2-methyl-1-propan-2-yloxypropane;4-(propan-2-yloxymethyl)pyridine;N-(4-propan-2-ylphenyl)methanesulfonamide.
| Compound Name | 1-(benzenesulfonyl)-2-propan-2-ylindole;5-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-1-methyl-2,3-dihydroindole;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;N-cyclopropyl-4-propan-2-ylbenzamide;2-methoxy-5-propan-2-ylpyridine;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;[(Z)-4-methylpent-2-en-2-yl]benzene;2-methyl-N-phenylpropanamide;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methyl-5-propan-2-yl-3H-indol-2-one;2-methyl-1-propan-2-yloxypropane;4-(propan-2-yloxymethyl)pyridine;N-(4-propan-2-ylphenyl)methanesulfonamide |
|---|---|
| PubChem CID | 158163238 |
| Molecular Formula | C182H249N15O15S3 |
| Molecular Weight | 2983.28 g/mol |
| Exact Mass | 2980.83 |
| IUPAC Name | 1-(benzenesulfonyl)-2-propan-2-ylindole;5-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-1-methyl-2,3-dihydroindole;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;N-cyclopropyl-4-propan-2-ylbenzamide;2-methoxy-5-propan-2-ylpyridine;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;[(Z)-4-methylpent-2-en-2-yl]benzene;2-methyl-N-phenylpropanamide;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methyl-5-propan-2-yl-3H-indol-2-one;2-methyl-1-propan-2-yloxypropane;4-(propan-2-yloxymethyl)pyridine;N-(4-propan-2-ylphenyl)methanesulfonamide |
| SMILES | C/C(=C/C(C)C)c1ccccc1.CC(C)(C)c1cc2ccccc2n1CCc1ccccc1.CC(C)(C)c1ccc2c(c1)CC(=O)N2.CC(C)/C=C/c1ccccc1S(N)(=O)=O.CC(C)C(=O)Nc1ccccc1.CC(C)COC(C)C.CC(C)OCc1ccncc1.CC(C)Oc1cc(C(C)(C)C)cnc1N.CC(C)c1cc2ccccc2n1S(=O)(=O)c1ccccc1.CC(C)c1ccc(C(=O)N2CCN(C)CC2)cc1.CC(C)c1ccc(C(=O)NC2CC2)cc1.CC(C)c1ccc(NS(C)(=O)=O)cc1.CC(C)c1ccc2c(c1)CC(=O)N2C.CN1CCc2cc(C(C)(C)C)ccc21.COc1ccc(C(C)C)cn1 |
| InChI | InChI=1S/C20H23N.C17H17NO2S.C15H22N2O.C13H17NO.C13H19N.C12H20N2O.2C12H15NO.C12H16.C11H15NO2S.C10H15NO2S.C10H13NO.2C9H13NO.C7H16O/c1-20(2,3)19-15-17-11-7-8-12-18(17)21(19)14-13-16-9-5-4-6-10-16;1-13(2)17-12-14-8-6-7-11-16(14)18(17)21(19,20)15-9-4-3-5-10-15;1-12(2)13-4-6-14(7-5-13)15(18)17-10-8-16(3)9-11-17;1-9(2)10-3-5-11(6-4-10)13(15)14-12-7-8-12;1-13(2,3)11-5-6-12-10(9-11)7-8-14(12)4;1-8(2)15-10-6-9(12(3,4)5)7-14-11(10)13;1-12(2,3)9-4-5-10-8(6-9)7-11(14)13-10;1-8(2)9-4-5-11-10(6-9)7-12(14)13(11)3;1-10(2)9-11(3)12-7-5-4-6-8-12;1-9(2)7-8-10-5-3-4-6-11(10)15(12,13)14;1-8(2)9-4-6-10(7-5-9)11-14(3,12)13;1-8(2)10(12)11-9-6-4-3-5-7-9;1-7(2)8-4-5-9(11-3)10-6-8;1-8(2)11-7-9-3-5-10-6-4-9;1-6(2)5-8-7(3)4/h4-12,15H,13-14H2,1-3H3;3-13H,1-2H3;4-7,12H,8-11H2,1-3H3;3-6,9,12H,7-8H2,1-2H3,(H,14,15);5-6,9H,7-8H2,1-4H3;6-8H,1-5H3,(H2,13,14);4-6H,7H2,1-3H3,(H,13,14);4-6,8H,7H2,1-3H3;4-10H,1-3H3;3-9H,1-2H3,(H2,12,13,14);4-8,11H,1-3H3;3-8H,1-2H3,(H,11,12);4-7H,1-3H3;3-6,8H,7H2,1-2H3;6-7H,5H2,1-4H3/b;;;;;;;;11-9-;8-7+;;;;; |
| InChIKey | FWNLQRVPHUJSNX-CRNWPGNASA-N |
| XLogP | 41.11 |
| TPSA | 386.34 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 215 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2983.28 |
| LogP ≤ 5 | 41.11 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 23 |