C160H255N15O16S4 — CID 158106979
N,N-diethyl-4-propan-2-ylbenzenesulfonamide;N,N-diethyl-2-(4-propan-2-ylphenoxy)ethanamine;N,N-dimethyl-2-(4-propan-2-ylphenoxy)ethanamine;ethane;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;4-[2-(4-propan-2-ylphenoxy)ethyl]morpholine;bis(1-[2-(4-propan-2-ylphenoxy)ethyl]piperazine);1-[2-(4-propan-2-ylphenoxy)ethyl]piperidine;1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)sulfonylpiperazine;4-(4-propan-2-ylphenyl)sulfonylpiperidine (PubChem CID 158106979) has the molecular formula C160H255N15O16S4 and a molecular weight of 2773.16 g/mol. Its IUPAC name is N,N-diethyl-4-propan-2-ylbenzenesulfonamide;N,N-diethyl-2-(4-propan-2-ylphenoxy)ethanamine;N,N-dimethyl-2-(4-propan-2-ylphenoxy)ethanamine;ethane;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;4-[2-(4-propan-2-ylphenoxy)ethyl]morpholine;bis(1-[2-(4-propan-2-ylphenoxy)ethyl]piperazine);1-[2-(4-propan-2-ylphenoxy)ethyl]piperidine;1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)sulfonylpiperazine;4-(4-propan-2-ylphenyl)sulfonylpiperidine.
| Compound Name | N,N-diethyl-4-propan-2-ylbenzenesulfonamide;N,N-diethyl-2-(4-propan-2-ylphenoxy)ethanamine;N,N-dimethyl-2-(4-propan-2-ylphenoxy)ethanamine;ethane;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;4-[2-(4-propan-2-ylphenoxy)ethyl]morpholine;bis(1-[2-(4-propan-2-ylphenoxy)ethyl]piperazine);1-[2-(4-propan-2-ylphenoxy)ethyl]piperidine;1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)sulfonylpiperazine;4-(4-propan-2-ylphenyl)sulfonylpiperidine |
|---|---|
| PubChem CID | 158106979 |
| Molecular Formula | C160H255N15O16S4 |
| Molecular Weight | 2773.16 g/mol |
| Exact Mass | 2770.85 |
| IUPAC Name | N,N-diethyl-4-propan-2-ylbenzenesulfonamide;N,N-diethyl-2-(4-propan-2-ylphenoxy)ethanamine;N,N-dimethyl-2-(4-propan-2-ylphenoxy)ethanamine;ethane;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine;4-[2-(4-propan-2-ylphenoxy)ethyl]morpholine;bis(1-[2-(4-propan-2-ylphenoxy)ethyl]piperazine);1-[2-(4-propan-2-ylphenoxy)ethyl]piperidine;1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidine;1-(4-propan-2-ylphenyl)sulfonylpiperazine;4-(4-propan-2-ylphenyl)sulfonylpiperidine |
| SMILES | CC.CC(C)c1ccc(OCCN(C)C)cc1.CC(C)c1ccc(OCCN2CCCC2)cc1.CC(C)c1ccc(OCCN2CCCCC2)cc1.CC(C)c1ccc(OCCN2CCNCC2)cc1.CC(C)c1ccc(OCCN2CCNCC2)cc1.CC(C)c1ccc(OCCN2CCOCC2)cc1.CC(C)c1ccc(S(=O)(=O)C2CCNCC2)cc1.CC(C)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1.CC(C)c1ccc(S(=O)(=O)N2CCNCC2)cc1.CCN(CC)CCOc1ccc(C(C)C)cc1.CCN(CC)S(=O)(=O)c1ccc(C(C)C)cc1 |
| InChI | InChI=1S/C16H25NO.2C15H24N2O.C15H23NO2.C15H23NO.C15H25NO.C14H22N2O2S.C14H21NO2S.C13H20N2O2S.C13H21NO2S.C13H21NO.C2H6/c1-14(2)15-6-8-16(9-7-15)18-13-12-17-10-4-3-5-11-17;2*1-13(2)14-3-5-15(6-4-14)18-12-11-17-9-7-16-8-10-17;1-13(2)14-3-5-15(6-4-14)18-12-9-16-7-10-17-11-8-16;1-13(2)14-5-7-15(8-6-14)17-12-11-16-9-3-4-10-16;1-5-16(6-2)11-12-17-15-9-7-14(8-10-15)13(3)4;1-12(2)13-4-6-14(7-5-13)19(17,18)16-10-8-15(3)9-11-16;1-11(2)12-3-5-13(6-4-12)18(16,17)14-7-9-15-10-8-14;1-11(2)12-3-5-13(6-4-12)18(16,17)15-9-7-14-8-10-15;1-5-14(6-2)17(15,16)13-9-7-12(8-10-13)11(3)4;1-11(2)12-5-7-13(8-6-12)15-10-9-14(3)4;1-2/h6-9,14H,3-5,10-13H2,1-2H3;2*3-6,13,16H,7-12H2,1-2H3;3-6,13H,7-12H2,1-2H3;5-8,13H,3-4,9-12H2,1-2H3;7-10,13H,5-6,11-12H2,1-4H3;4-7,12H,8-11H2,1-3H3;3-6,11,14-15H,7-10H2,1-2H3;3-6,11,14H,7-10H2,1-2H3;7-11H,5-6H2,1-4H3;5-8,11H,9-10H2,1-4H3;1-2H3 |
| InChIKey | FPYMWXCEPCSGHK-UHFFFAOYSA-N |
| XLogP | 29.30 |
| TPSA | 294.16 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 51 |
| Heavy Atoms | 195 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2773.16 |
| LogP ≤ 5 | 29.30 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 28 |