C133H189F9N10O10S2 — CID 157148622
N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N-cyclohexyl-2-methylsulfanylbenzamide;N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N-cyclohexyl-2-(trifluoromethyl)benzamide;N-[1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]-N-prop-2-ynyl-2-(trifluoromethyl)benzamide;N-cyclohexyl-N-[1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]-2-methylsulfanylbenzamide;N-cyclohexyl-N-[1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]-2-(trifluoromethyl)benzamide (PubChem CID 157148622) has the molecular formula C133H189F9N10O10S2 and a molecular weight of 2323.15 g/mol. Its IUPAC name is N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N-cyclohexyl-2-methylsulfanylbenzamide;N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N-cyclohexyl-2-(trifluoromethyl)benzamide;N-[1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]-N-prop-2-ynyl-2-(trifluoromethyl)benzamide;N-cyclohexyl-N-[1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]-2-methylsulfanylbenzamide;N-cyclohexyl-N-[1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]-2-(trifluoromethyl)benzamide.
| Compound Name | N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N-cyclohexyl-2-methylsulfanylbenzamide;N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N-cyclohexyl-2-(trifluoromethyl)benzamide;N-[1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]-N-prop-2-ynyl-2-(trifluoromethyl)benzamide;N-cyclohexyl-N-[1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]-2-methylsulfanylbenzamide;N-cyclohexyl-N-[1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]-2-(trifluoromethyl)benzamide |
|---|---|
| PubChem CID | 157148622 |
| Molecular Formula | C133H189F9N10O10S2 |
| Molecular Weight | 2323.15 g/mol |
| Exact Mass | 2321.39 |
| IUPAC Name | N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N-cyclohexyl-2-methylsulfanylbenzamide;N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N-cyclohexyl-2-(trifluoromethyl)benzamide;N-[1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]-N-prop-2-ynyl-2-(trifluoromethyl)benzamide;N-cyclohexyl-N-[1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]-2-methylsulfanylbenzamide;N-cyclohexyl-N-[1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]-2-(trifluoromethyl)benzamide |
| SMILES | C#CCN(C(=O)c1ccccc1C(F)(F)F)C(C(=O)NC1CCCCC1)C1CCCCC1.CCCCNC(=O)C(C1CCCCC1)N(C(=O)c1ccccc1C(F)(F)F)C1CCCCC1.CCCCNC(=O)C(C1CCCCC1)N(C(=O)c1ccccc1SC)C1CCCCC1.CSc1ccccc1C(=O)N(C1CCCCC1)C(C(=O)NC1CCCCC1)C1CCCCC1.O=C(NC1CCCCC1)C(C1CCCCC1)N(C(=O)c1ccccc1C(F)(F)F)C1CCCCC1 |
| InChI | InChI=1S/C28H39F3N2O2.C28H42N2O2S.C26H37F3N2O2.C26H40N2O2S.C25H31F3N2O2/c29-28(30,31)24-19-11-10-18-23(24)27(35)33(22-16-8-3-9-17-22)25(20-12-4-1-5-13-20)26(34)32-21-14-6-2-7-15-21;1-33-25-20-12-11-19-24(25)28(32)30(23-17-9-4-10-18-23)26(21-13-5-2-6-14-21)27(31)29-22-15-7-3-8-16-22;1-2-3-18-30-24(32)23(19-12-6-4-7-13-19)31(20-14-8-5-9-15-20)25(33)21-16-10-11-17-22(21)26(27,28)29;1-3-4-19-27-25(29)24(20-13-7-5-8-14-20)28(21-15-9-6-10-16-21)26(30)22-17-11-12-18-23(22)31-2;1-2-17-30(24(32)20-15-9-10-16-21(20)25(26,27)28)22(18-11-5-3-6-12-18)23(31)29-19-13-7-4-8-14-19/h10-11,18-22,25H,1-9,12-17H2,(H,32,34);11-12,19-23,26H,2-10,13-18H2,1H3,(H,29,31);10-11,16-17,19-20,23H,2-9,12-15,18H2,1H3,(H,30,32);11-12,17-18,20-21,24H,3-10,13-16,19H2,1-2H3,(H,27,29);1,9-10,15-16,18-19,22H,3-8,11-14,17H2,(H,29,31) |
| InChIKey | AKZMUCNRJVHWPE-UHFFFAOYSA-N |
| XLogP | 31.03 |
| TPSA | 247.05 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 164 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2323.15 |
| LogP ≤ 5 | 31.03 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 12 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
|---|