C151H230N6O19S9 — CID 158670475
4-[4-[4-(tert-butylsulfonylmethyl)cyclohexyl]butyl]benzenesulfonamide;3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]benzamide;6-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzoxazole;5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1H-indene;4-[[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]methyl]pyridine;3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-N-propan-2-ylbenzamide (PubChem CID 158670475) has the molecular formula C151H230N6O19S9 and a molecular weight of 2722.13 g/mol. Its IUPAC name is 4-[4-[4-(tert-butylsulfonylmethyl)cyclohexyl]butyl]benzenesulfonamide;3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]benzamide;6-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzoxazole;5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1H-indene;4-[[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]methyl]pyridine;3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-N-propan-2-ylbenzamide.
| Compound Name | 4-[4-[4-(tert-butylsulfonylmethyl)cyclohexyl]butyl]benzenesulfonamide;3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]benzamide;6-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzoxazole;5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1H-indene;4-[[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]methyl]pyridine;3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-N-propan-2-ylbenzamide |
|---|---|
| PubChem CID | 158670475 |
| Molecular Formula | C151H230N6O19S9 |
| Molecular Weight | 2722.13 g/mol |
| Exact Mass | 2719.47 |
| IUPAC Name | 4-[4-[4-(tert-butylsulfonylmethyl)cyclohexyl]butyl]benzenesulfonamide;3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]benzamide;6-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzothiazole;5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzoxazole;5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1H-indene;4-[[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]methyl]pyridine;3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-N-propan-2-ylbenzamide |
| SMILES | CC(C)(C)S(=O)(=O)CC1CCC(CCCCc2ccc(S(N)(=O)=O)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc(Cc3ccncc3)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc3c(c2)CCC3)CC1.CC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc3ncsc3c2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc3ocnc3c2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(CCc2cccc(C(N)=O)c2)CC1.CC(C)NC(=O)c1cccc(CCC2CCC(CS(=O)(=O)C(C)(C)C)CC2)c1 |
| InChI | InChI=1S/C25H35NO2S.C23H37NO3S.C22H34O2S.C21H35NO4S2.C20H29NO3S.C20H31NO3S.C20H29NO2S2/c1-25(2,3)29(27,28)19-24-12-8-21(9-13-24)5-4-20-6-10-22(11-7-20)18-23-14-16-26-17-15-23;1-17(2)24-22(25)21-8-6-7-19(15-21)12-9-18-10-13-20(14-11-18)16-28(26,27)23(3,4)5;1-22(2,3)25(23,24)16-19-11-8-17(9-12-19)7-10-18-13-14-20-5-4-6-21(20)15-18;1-21(2,3)27(23,24)16-19-10-8-17(9-11-19)6-4-5-7-18-12-14-20(15-13-18)28(22,25)26;1-20(2,3)25(22,23)13-17-8-5-15(6-9-17)4-7-16-10-11-19-18(12-16)21-14-24-19;1-20(2,3)25(23,24)14-17-11-8-15(9-12-17)7-10-16-5-4-6-18(13-16)19(21)22;1-20(2,3)25(22,23)13-17-8-5-15(6-9-17)4-7-16-10-11-18-19(12-16)24-14-21-18/h6-7,10-11,14-17,21,24H,4-5,8-9,12-13,18-19H2,1-3H3;6-8,15,17-18,20H,9-14,16H2,1-5H3,(H,24,25);13-15,17,19H,4-12,16H2,1-3H3;12-15,17,19H,4-11,16H2,1-3H3,(H2,22,25,26);10-12,14-15,17H,4-9,13H2,1-3H3;4-6,13,15,17H,7-12,14H2,1-3H3,(H2,21,22);10-12,14-15,17H,4-9,13H2,1-3H3 |
| InChIKey | IDWSHFNSRKHHTP-UHFFFAOYSA-N |
| XLogP | 33.36 |
| TPSA | 423.14 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 43 |
| Heavy Atoms | 185 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2722.13 |
| LogP ≤ 5 | 33.36 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 23 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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