C119H131F3N24O10S — CID 159910282
4-[[(4-tert-butylcyclohexyl)-[[3-(trifluoromethylsulfanyl)phenyl]carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[4-(cyclohexen-1-yl)-N-[(3,5-dimethylphenyl)carbamoyl]anilino]methyl]benzoyl]amino]propanoic acid;4-[[4-(cyclohexen-1-yl)-N-[(3,5-dimethylphenyl)carbamoyl]anilino]methyl]-N-(2H-tetrazol-5-yl)benzamide;4-[[4-cyclohexyl-N-[(3,5-dimethylphenyl)carbamoyl]anilino]methyl]-N-(2H-tetrazol-5-yl)benzamide (PubChem CID 159910282) has the molecular formula C119H131F3N24O10S and a molecular weight of 2146.58 g/mol. Its IUPAC name is 4-[[(4-tert-butylcyclohexyl)-[[3-(trifluoromethylsulfanyl)phenyl]carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[4-(cyclohexen-1-yl)-N-[(3,5-dimethylphenyl)carbamoyl]anilino]methyl]benzoyl]amino]propanoic acid;4-[[4-(cyclohexen-1-yl)-N-[(3,5-dimethylphenyl)carbamoyl]anilino]methyl]-N-(2H-tetrazol-5-yl)benzamide;4-[[4-cyclohexyl-N-[(3,5-dimethylphenyl)carbamoyl]anilino]methyl]-N-(2H-tetrazol-5-yl)benzamide.
| Compound Name | 4-[[(4-tert-butylcyclohexyl)-[[3-(trifluoromethylsulfanyl)phenyl]carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[4-(cyclohexen-1-yl)-N-[(3,5-dimethylphenyl)carbamoyl]anilino]methyl]benzoyl]amino]propanoic acid;4-[[4-(cyclohexen-1-yl)-N-[(3,5-dimethylphenyl)carbamoyl]anilino]methyl]-N-(2H-tetrazol-5-yl)benzamide;4-[[4-cyclohexyl-N-[(3,5-dimethylphenyl)carbamoyl]anilino]methyl]-N-(2H-tetrazol-5-yl)benzamide |
|---|---|
| PubChem CID | 159910282 |
| Molecular Formula | C119H131F3N24O10S |
| Molecular Weight | 2146.58 g/mol |
| Exact Mass | 2145.02 |
| IUPAC Name | 4-[[(4-tert-butylcyclohexyl)-[[3-(trifluoromethylsulfanyl)phenyl]carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[[4-(cyclohexen-1-yl)-N-[(3,5-dimethylphenyl)carbamoyl]anilino]methyl]benzoyl]amino]propanoic acid;4-[[4-(cyclohexen-1-yl)-N-[(3,5-dimethylphenyl)carbamoyl]anilino]methyl]-N-(2H-tetrazol-5-yl)benzamide;4-[[4-cyclohexyl-N-[(3,5-dimethylphenyl)carbamoyl]anilino]methyl]-N-(2H-tetrazol-5-yl)benzamide |
| SMILES | CC(C)(C)C1CCC(N(Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)C(=O)Nc2cccc(SC(F)(F)F)c2)CC1.Cc1cc(C)cc(NC(=O)N(Cc2ccc(C(=O)NCCC(=O)O)cc2)c2ccc(C3=CCCCC3)cc2)c1.Cc1cc(C)cc(NC(=O)N(Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)c2ccc(C3=CCCCC3)cc2)c1.Cc1cc(C)cc(NC(=O)N(Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)c2ccc(C3CCCCC3)cc2)c1 |
| InChI | InChI=1S/C32H35N3O4.C30H33N7O2.C30H31N7O2.C27H32F3N7O2S/c1-22-18-23(2)20-28(19-22)34-32(39)35(29-14-12-26(13-15-29)25-6-4-3-5-7-25)21-24-8-10-27(11-9-24)31(38)33-17-16-30(36)37;2*1-20-16-21(2)18-26(17-20)31-30(39)37(27-14-12-24(13-15-27)23-6-4-3-5-7-23)19-22-8-10-25(11-9-22)28(38)32-29-33-35-36-34-29;1-26(2,3)19-11-13-21(14-12-19)37(25(39)31-20-5-4-6-22(15-20)40-27(28,29)30)16-17-7-9-18(10-8-17)23(38)32-24-33-35-36-34-24/h6,8-15,18-20H,3-5,7,16-17,21H2,1-2H3,(H,33,38)(H,34,39)(H,36,37);8-18,23H,3-7,19H2,1-2H3,(H,31,39)(H2,32,33,34,35,36,38);6,8-18H,3-5,7,19H2,1-2H3,(H,31,39)(H2,32,33,34,35,36,38);4-10,15,19,21H,11-14,16H2,1-3H3,(H,31,39)(H2,32,33,34,35,36,38) |
| InChIKey | NXCGJJJPHWWPHB-UHFFFAOYSA-N |
| XLogP | 26.03 |
| TPSA | 446.44 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 157 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2146.58 |
| LogP ≤ 5 | 26.03 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 19 |