C147H180F3N5O22S9 — CID 158885535
1-(cyclopropylmethoxy)-3-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzene;N-propan-2-yl-3-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzenesulfonamide;N-propan-2-yl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzenesulfonamide;2-[4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]furan;5-[4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]-1,2-oxazole;1-[4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]pyrrolidin-2-one;2-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine (PubChem CID 158885535) has the molecular formula C147H180F3N5O22S9 and a molecular weight of 2714.67 g/mol. Its IUPAC name is 1-(cyclopropylmethoxy)-3-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzene;N-propan-2-yl-3-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzenesulfonamide;N-propan-2-yl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzenesulfonamide;2-[4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]furan;5-[4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]-1,2-oxazole;1-[4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]pyrrolidin-2-one;2-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine.
| Compound Name | 1-(cyclopropylmethoxy)-3-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzene;N-propan-2-yl-3-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzenesulfonamide;N-propan-2-yl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzenesulfonamide;2-[4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]furan;5-[4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]-1,2-oxazole;1-[4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]pyrrolidin-2-one;2-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine |
|---|---|
| PubChem CID | 158885535 |
| Molecular Formula | C147H180F3N5O22S9 |
| Molecular Weight | 2714.67 g/mol |
| Exact Mass | 2712.06 |
| IUPAC Name | 1-(cyclopropylmethoxy)-3-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzene;N-propan-2-yl-3-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzenesulfonamide;N-propan-2-yl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzenesulfonamide;2-[4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]furan;5-[4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]-1,2-oxazole;1-[4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]pyrrolidin-2-one;2-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-5-(trifluoromethyl)pyridine |
| SMILES | CC(C)NS(=O)(=O)c1ccc(CCc2ccc(CS(=O)(=O)C(C)C)cc2)cc1.CC(C)NS(=O)(=O)c1cccc(CCc2ccc(CS(=O)(=O)C(C)C)cc2)c1.CC(C)S(=O)(=O)Cc1ccc(CCc2ccc(-c3ccco3)cc2)cc1.CC(C)S(=O)(=O)Cc1ccc(CCc2ccc(-c3ccno3)cc2)cc1.CC(C)S(=O)(=O)Cc1ccc(CCc2ccc(C(F)(F)F)cn2)cc1.CC(C)S(=O)(=O)Cc1ccc(CCc2ccc(N3CCCC3=O)cc2)cc1.CC(C)S(=O)(=O)Cc1ccc(CCc2cccc(OCC3CC3)c2)cc1 |
| InChI | InChI=1S/C22H27NO3S.C22H24O3S.C22H28O3S.2C21H29NO4S2.C21H23NO3S.C18H20F3NO2S/c1-17(2)27(25,26)16-20-9-7-18(8-10-20)5-6-19-11-13-21(14-12-19)23-15-3-4-22(23)24;1-17(2)26(23,24)16-20-9-7-18(8-10-20)5-6-19-11-13-21(14-12-19)22-4-3-15-25-22;1-17(2)26(23,24)16-21-12-7-18(8-13-21)6-9-19-4-3-5-22(14-19)25-15-20-10-11-20;1-16(2)22-28(25,26)21-13-11-19(12-14-21)6-5-18-7-9-20(10-8-18)15-27(23,24)17(3)4;1-16(2)22-28(25,26)21-7-5-6-19(14-21)11-8-18-9-12-20(13-10-18)15-27(23,24)17(3)4;1-16(2)26(23,24)15-19-7-5-17(6-8-19)3-4-18-9-11-20(12-10-18)21-13-14-22-25-21;1-13(2)25(23,24)12-15-5-3-14(4-6-15)7-9-17-10-8-16(11-22-17)18(19,20)21/h7-14,17H,3-6,15-16H2,1-2H3;3-4,7-15,17H,5-6,16H2,1-2H3;3-5,7-8,12-14,17,20H,6,9-11,15-16H2,1-2H3;7-14,16-17,22H,5-6,15H2,1-4H3;5-7,9-10,12-14,16-17,22H,8,11,15H2,1-4H3;5-14,16H,3-4,15H2,1-2H3;3-6,8,10-11,13H,7,9,12H2,1-2H3 |
| InChIKey | JDOTVECYJGYXCQ-UHFFFAOYSA-N |
| XLogP | 29.18 |
| TPSA | 412.92 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 54 |
| Heavy Atoms | 186 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2714.67 |
| LogP ≤ 5 | 29.18 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 24 |