C106H208N22O28S5 — CID 159480601
N-acetyl-2-methylpropanamide;N,2-dimethylpropanamide;N-(dimethylsulfamoyl)-2-methylpropanamide;methane;N-methoxy-2-methylpropanamide;methyl 3-hydroxy-4-methylpent-2-enoate;5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole;2-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)propanamide;2-methylpropanoic acid;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-2H-pyrrole;2-methyl-N-(2-propoxyethyl)propanamide;2-methyl-N-propylpropanamide;2-methylsulfonylpropane;2-methyl-N-(1H-1,2,4-triazol-5-yl)propanamide;N-propan-2-ylsulfonylacetamide;5-propan-2-yl-1H-1,2,4-triazole;N-pyridin-2-ylpropane-2-sulfonamide (PubChem CID 159480601) has the molecular formula C106H208N22O28S5 and a molecular weight of 2399.29 g/mol. Its IUPAC name is N-acetyl-2-methylpropanamide;N,2-dimethylpropanamide;N-(dimethylsulfamoyl)-2-methylpropanamide;methane;N-methoxy-2-methylpropanamide;methyl 3-hydroxy-4-methylpent-2-enoate;5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole;2-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)propanamide;2-methylpropanoic acid;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-2H-pyrrole;2-methyl-N-(2-propoxyethyl)propanamide;2-methyl-N-propylpropanamide;2-methylsulfonylpropane;2-methyl-N-(1H-1,2,4-triazol-5-yl)propanamide;N-propan-2-ylsulfonylacetamide;5-propan-2-yl-1H-1,2,4-triazole;N-pyridin-2-ylpropane-2-sulfonamide.
| Compound Name | N-acetyl-2-methylpropanamide;N,2-dimethylpropanamide;N-(dimethylsulfamoyl)-2-methylpropanamide;methane;N-methoxy-2-methylpropanamide;methyl 3-hydroxy-4-methylpent-2-enoate;5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole;2-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)propanamide;2-methylpropanoic acid;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-2H-pyrrole;2-methyl-N-(2-propoxyethyl)propanamide;2-methyl-N-propylpropanamide;2-methylsulfonylpropane;2-methyl-N-(1H-1,2,4-triazol-5-yl)propanamide;N-propan-2-ylsulfonylacetamide;5-propan-2-yl-1H-1,2,4-triazole;N-pyridin-2-ylpropane-2-sulfonamide |
|---|---|
| PubChem CID | 159480601 |
| Molecular Formula | C106H208N22O28S5 |
| Molecular Weight | 2399.29 g/mol |
| Exact Mass | 2397.41 |
| IUPAC Name | N-acetyl-2-methylpropanamide;N,2-dimethylpropanamide;N-(dimethylsulfamoyl)-2-methylpropanamide;methane;N-methoxy-2-methylpropanamide;methyl 3-hydroxy-4-methylpent-2-enoate;5-methylidene-3-propan-2-yl-2H-1,2,4-oxadiazole;2-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)propanamide;2-methylpropanoic acid;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-2H-pyrrole;2-methyl-N-(2-propoxyethyl)propanamide;2-methyl-N-propylpropanamide;2-methylsulfonylpropane;2-methyl-N-(1H-1,2,4-triazol-5-yl)propanamide;N-propan-2-ylsulfonylacetamide;5-propan-2-yl-1H-1,2,4-triazole;N-pyridin-2-ylpropane-2-sulfonamide |
| SMILES | C.C.C=C1N=C(C(C)C)NO1.C=S(C)(=O)NC(=O)C(C)C.CC(=O)NC(=O)C(C)C.CC(=O)NS(=O)(=O)C(C)C.CC(C)C(=O)NS(=O)(=O)N(C)C.CC(C)C(=O)Nc1ncn[nH]1.CC(C)C(=O)O.CC(C)S(=O)(=O)Nc1ccccn1.CC(C)S(C)(=O)=O.CC(C)c1ncn[nH]1.CC1=CC(C(C)C)=NC1.CCCNC(=O)C(C)C.CCCOCCNC(=O)C(C)C.CNC(=O)C(C)C.COC(=O)C=C(O)C(C)C.CONC(=O)C(C)C.Cc1cc(C(C)C)on1 |
| InChI | InChI=1S/C9H19NO2.C8H12N2O2S.C8H13N.C7H11NO.C7H15NO.C7H12O3.C6H10N4O.C6H14N2O3S.C6H10N2O.C6H13NO2S.C6H11NO2.C5H9N3.C5H11NO3S.C5H11NO2.C5H11NO.C4H10O2S.C4H8O2.2CH4/c1-4-6-12-7-5-10-9(11)8(2)3;1-7(2)13(11,12)10-8-5-3-4-6-9-8;1-6(2)8-4-7(3)5-9-8;1-5(2)7-4-6(3)8-9-7;1-4-5-8-7(9)6(2)3;1-5(2)6(8)4-7(9)10-3;1-4(2)5(11)9-6-7-3-8-10-6;1-5(2)6(9)7-12(10,11)8(3)4;1-4(2)6-7-5(3)9-8-6;1-5(2)6(8)7-10(3,4)9;1-4(2)6(9)7-5(3)8;1-4(2)5-6-3-7-8-5;1-4(2)10(8,9)6-5(3)7;1-4(2)5(7)6-8-3;1-4(2)5(7)6-3;1-4(2)7(3,5)6;1-3(2)4(5)6;;/h8H,4-7H2,1-3H3,(H,10,11);3-7H,1-2H3,(H,9,10);4,6H,5H2,1-3H3;4-5H,1-3H3;6H,4-5H2,1-3H3,(H,8,9);4-5,8H,1-3H3;3-4H,1-2H3,(H2,7,8,9,10,11);5H,1-4H3,(H,7,9);4H,3H2,1-2H3,(H,7,8);5H,3H2,1-2,4H3,(H,7,8,9);4H,1-3H3,(H,7,8,9);3-4H,1-2H3,(H,6,7,8);4H,1-3H3,(H,6,7);4H,1-3H3,(H,6,7);4H,1-3H3,(H,6,7);4H,1-3H3;3H,1-2H3,(H,5,6);2*1H4 |
| InChIKey | SUORFEKPMKDLOD-UHFFFAOYSA-N |
| XLogP | 14.26 |
| TPSA | 718.20 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 161 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2399.29 |
| LogP ≤ 5 | 14.26 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 36 |
| Structural Alerts | {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'} |
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