C153H163Cl5FN29O13S4 — CID 161136238
N-(5-carbamothioyl-2-methyl-4-pyridinyl)-4-chloro-N-ethylbenzamide;N-(5-carbamothioyl-2-methyl-4-pyridinyl)-N-ethylacetamide;N-(5-carbamothioyl-2-methyl-4-pyridinyl)-N-ethylbenzamide;N-(5-chloro-2-methyl-4-pyridinyl)-N-ethylacetamide;N-(5-chloro-2-methyl-4-pyridinyl)-N-ethylbenzamide;N-(5-chloro-2-methyl-4-pyridinyl)-N-ethyl-4-methylbenzamide;N-(5-chloro-2-methyl-4-pyridinyl)-2-fluoro-N-methoxysulfinylbenzamide;bis(N-(5-cyano-2-methyl-4-pyridinyl)-N-ethylacetamide);N-(5-cyano-2-methyl-4-pyridinyl)-N-ethylbenzamide;N-(5-cyano-2-methyl-4-pyridinyl)-N-ethyl-4-methylbenzamide (PubChem CID 161136238) has the molecular formula C153H163Cl5FN29O13S4 and a molecular weight of 2940.71 g/mol. Its IUPAC name is N-(5-carbamothioyl-2-methyl-4-pyridinyl)-4-chloro-N-ethylbenzamide;N-(5-carbamothioyl-2-methyl-4-pyridinyl)-N-ethylacetamide;N-(5-carbamothioyl-2-methyl-4-pyridinyl)-N-ethylbenzamide;N-(5-chloro-2-methyl-4-pyridinyl)-N-ethylacetamide;N-(5-chloro-2-methyl-4-pyridinyl)-N-ethylbenzamide;N-(5-chloro-2-methyl-4-pyridinyl)-N-ethyl-4-methylbenzamide;N-(5-chloro-2-methyl-4-pyridinyl)-2-fluoro-N-methoxysulfinylbenzamide;bis(N-(5-cyano-2-methyl-4-pyridinyl)-N-ethylacetamide);N-(5-cyano-2-methyl-4-pyridinyl)-N-ethylbenzamide;N-(5-cyano-2-methyl-4-pyridinyl)-N-ethyl-4-methylbenzamide.
| Compound Name | N-(5-carbamothioyl-2-methyl-4-pyridinyl)-4-chloro-N-ethylbenzamide;N-(5-carbamothioyl-2-methyl-4-pyridinyl)-N-ethylacetamide;N-(5-carbamothioyl-2-methyl-4-pyridinyl)-N-ethylbenzamide;N-(5-chloro-2-methyl-4-pyridinyl)-N-ethylacetamide;N-(5-chloro-2-methyl-4-pyridinyl)-N-ethylbenzamide;N-(5-chloro-2-methyl-4-pyridinyl)-N-ethyl-4-methylbenzamide;N-(5-chloro-2-methyl-4-pyridinyl)-2-fluoro-N-methoxysulfinylbenzamide;bis(N-(5-cyano-2-methyl-4-pyridinyl)-N-ethylacetamide);N-(5-cyano-2-methyl-4-pyridinyl)-N-ethylbenzamide;N-(5-cyano-2-methyl-4-pyridinyl)-N-ethyl-4-methylbenzamide |
|---|---|
| PubChem CID | 161136238 |
| Molecular Formula | C153H163Cl5FN29O13S4 |
| Molecular Weight | 2940.71 g/mol |
| Exact Mass | 2936.03 |
| IUPAC Name | N-(5-carbamothioyl-2-methyl-4-pyridinyl)-4-chloro-N-ethylbenzamide;N-(5-carbamothioyl-2-methyl-4-pyridinyl)-N-ethylacetamide;N-(5-carbamothioyl-2-methyl-4-pyridinyl)-N-ethylbenzamide;N-(5-chloro-2-methyl-4-pyridinyl)-N-ethylacetamide;N-(5-chloro-2-methyl-4-pyridinyl)-N-ethylbenzamide;N-(5-chloro-2-methyl-4-pyridinyl)-N-ethyl-4-methylbenzamide;N-(5-chloro-2-methyl-4-pyridinyl)-2-fluoro-N-methoxysulfinylbenzamide;bis(N-(5-cyano-2-methyl-4-pyridinyl)-N-ethylacetamide);N-(5-cyano-2-methyl-4-pyridinyl)-N-ethylbenzamide;N-(5-cyano-2-methyl-4-pyridinyl)-N-ethyl-4-methylbenzamide |
| SMILES | CCN(C(=O)c1ccc(C)cc1)c1cc(C)ncc1C#N.CCN(C(=O)c1ccc(C)cc1)c1cc(C)ncc1Cl.CCN(C(=O)c1ccc(Cl)cc1)c1cc(C)ncc1C(N)=S.CCN(C(=O)c1ccccc1)c1cc(C)ncc1C#N.CCN(C(=O)c1ccccc1)c1cc(C)ncc1C(N)=S.CCN(C(=O)c1ccccc1)c1cc(C)ncc1Cl.CCN(C(C)=O)c1cc(C)ncc1C#N.CCN(C(C)=O)c1cc(C)ncc1C#N.CCN(C(C)=O)c1cc(C)ncc1C(N)=S.CCN(C(C)=O)c1cc(C)ncc1Cl.COS(=O)N(C(=O)c1ccccc1F)c1cc(C)ncc1Cl |
| InChI | InChI=1S/C17H17N3O.C16H16ClN3OS.C16H17ClN2O.C16H17N3OS.C16H15N3O.C15H15ClN2O.C14H12ClFN2O3S.C11H15N3OS.2C11H13N3O.C10H13ClN2O/c1-4-20(16-9-13(3)19-11-15(16)10-18)17(21)14-7-5-12(2)6-8-14;1-3-20(16(21)11-4-6-12(17)7-5-11)14-8-10(2)19-9-13(14)15(18)22;1-4-19(15-9-12(3)18-10-14(15)17)16(20)13-7-5-11(2)6-8-13;1-3-19(16(20)12-7-5-4-6-8-12)14-9-11(2)18-10-13(14)15(17)21;1-3-19(16(20)13-7-5-4-6-8-13)15-9-12(2)18-11-14(15)10-17;1-3-18(14-9-11(2)17-10-13(14)16)15(19)12-7-5-4-6-8-12;1-9-7-13(11(15)8-17-9)18(22(20)21-2)14(19)10-5-3-4-6-12(10)16;1-4-14(8(3)15)10-5-7(2)13-6-9(10)11(12)16;2*1-4-14(9(3)15)11-5-8(2)13-7-10(11)6-12;1-4-13(8(3)14)10-5-7(2)12-6-9(10)11/h5-9,11H,4H2,1-3H3;4-9H,3H2,1-2H3,(H2,18,22);5-10H,4H2,1-3H3;4-10H,3H2,1-2H3,(H2,17,21);4-9,11H,3H2,1-2H3;4-10H,3H2,1-2H3;3-8H,1-2H3;5-6H,4H2,1-3H3,(H2,12,16);2*5,7H,4H2,1-3H3;5-6H,4H2,1-3H3 |
| InChIKey | UMVKFBXKYIPGDD-UHFFFAOYSA-N |
| XLogP | 30.07 |
| TPSA | 564.72 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 205 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2940.71 |
| LogP ≤ 5 | 30.07 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 31 |
| Structural Alerts | {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'} |
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