C135H135Cl4N19O27S14 — CID 158088036
2-(4-tert-butylphenoxy)-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]acetamide;2-(2-chloro-4-methylphenoxy)-N-[[4-[(4-methoxyphenyl)methylsulfonyl]phenyl]carbamothioyl]acetamide;2-(2-chloro-4-methylphenoxy)-N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]acetamide;2-(2-chloro-4-methylphenoxy)-N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]propanamide;2-(2-chloro-4-methylphenoxy)-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]propanamide;N-[[4-[(3,5-dimethylphenyl)methylsulfonyl]phenyl]carbamothioyl]-2-(4-methylphenoxy)acetamide (PubChem CID 158088036) has the molecular formula C135H135Cl4N19O27S14 and a molecular weight of 3046.42 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]acetamide;2-(2-chloro-4-methylphenoxy)-N-[[4-[(4-methoxyphenyl)methylsulfonyl]phenyl]carbamothioyl]acetamide;2-(2-chloro-4-methylphenoxy)-N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]acetamide;2-(2-chloro-4-methylphenoxy)-N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]propanamide;2-(2-chloro-4-methylphenoxy)-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]propanamide;N-[[4-[(3,5-dimethylphenyl)methylsulfonyl]phenyl]carbamothioyl]-2-(4-methylphenoxy)acetamide.
| Compound Name | 2-(4-tert-butylphenoxy)-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]acetamide;2-(2-chloro-4-methylphenoxy)-N-[[4-[(4-methoxyphenyl)methylsulfonyl]phenyl]carbamothioyl]acetamide;2-(2-chloro-4-methylphenoxy)-N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]acetamide;2-(2-chloro-4-methylphenoxy)-N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]propanamide;2-(2-chloro-4-methylphenoxy)-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]propanamide;N-[[4-[(3,5-dimethylphenyl)methylsulfonyl]phenyl]carbamothioyl]-2-(4-methylphenoxy)acetamide |
|---|---|
| PubChem CID | 158088036 |
| Molecular Formula | C135H135Cl4N19O27S14 |
| Molecular Weight | 3046.42 g/mol |
| Exact Mass | 3041.46 |
| IUPAC Name | 2-(4-tert-butylphenoxy)-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]acetamide;2-(2-chloro-4-methylphenoxy)-N-[[4-[(4-methoxyphenyl)methylsulfonyl]phenyl]carbamothioyl]acetamide;2-(2-chloro-4-methylphenoxy)-N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]acetamide;2-(2-chloro-4-methylphenoxy)-N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]propanamide;2-(2-chloro-4-methylphenoxy)-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]propanamide;N-[[4-[(3,5-dimethylphenyl)methylsulfonyl]phenyl]carbamothioyl]-2-(4-methylphenoxy)acetamide |
| SMILES | CC(C)(C)c1ccc(OCC(=O)NC(=S)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1.COc1ccc(CS(=O)(=O)c2ccc(NC(=S)NC(=O)COc3ccc(C)cc3Cl)cc2)cc1.COc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)COc3ccc(C)cc3Cl)cc2)cc1.Cc1ccc(OC(C)C(=O)NC(=S)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)c(Cl)c1.Cc1ccc(OC(C)C(=O)NC(=S)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c(Cl)c1.Cc1ccc(OCC(=O)NC(=S)Nc2ccc(S(=O)(=O)Cc3cc(C)cc(C)c3)cc2)cc1 |
| InChI | InChI=1S/C25H26N2O4S2.C24H23ClN2O5S2.C23H22ClN3O5S2.C22H24N4O4S3.C21H21ClN4O5S2.C20H19ClN4O4S3/c1-17-4-8-22(9-5-17)31-15-24(28)27-25(32)26-21-6-10-23(11-7-21)33(29,30)16-20-13-18(2)12-19(3)14-20;1-16-3-12-22(21(25)13-16)32-14-23(28)27-24(33)26-18-6-10-20(11-7-18)34(29,30)15-17-4-8-19(31-2)9-5-17;1-15-3-12-21(20(24)13-15)32-14-22(28)26-23(33)25-16-6-10-19(11-7-16)34(29,30)27-17-4-8-18(31-2)9-5-17;1-22(2,3)15-4-8-17(9-5-15)30-14-19(27)25-20(31)24-16-6-10-18(11-7-16)33(28,29)26-21-23-12-13-32-21;1-12-4-9-18(17(22)10-12)30-14(3)20(27)24-21(32)23-15-5-7-16(8-6-15)33(28,29)26-19-11-13(2)31-25-19;1-12-3-8-17(16(21)11-12)29-13(2)18(26)24-19(30)23-14-4-6-15(7-5-14)32(27,28)25-20-22-9-10-31-20/h4-14H,15-16H2,1-3H3,(H2,26,27,28,32);3-13H,14-15H2,1-2H3,(H2,26,27,28,33);3-13,27H,14H2,1-2H3,(H2,25,26,28,33);4-13H,14H2,1-3H3,(H,23,26)(H2,24,25,27,31);4-11,14H,1-3H3,(H,25,26)(H2,23,24,27,32);3-11,13H,1-2H3,(H,22,25)(H2,23,24,26,30) |
| InChIKey | FNTFYEXPWLIESE-UHFFFAOYSA-N |
| XLogP | 25.70 |
| TPSA | 625.39 Ų |
| H-Bond Donors | 16 |
| H-Bond Acceptors | 38 |
| Rotatable Bonds | 44 |
| Heavy Atoms | 199 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3046.42 |
| LogP ≤ 5 | 25.70 |
| H-Bond Donors ≤ 5 | 16 |
| H-Bond Acceptors ≤ 10 | 38 |
| Structural Alerts | {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'} |
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