C97H188N24O33S5 — CID 158365118
N-acetyl-2-methylpropanamide;N-(dimethylamino-methylidene-oxo-λ6-sulfanyl)-2-methylpropanamide;N-hydroxy-2-methylpropanamide;N-methoxy-2-methylpropanamide;methyl 3-hydroxy-4-methylpent-2-enoate;2-methyl-N-methylsulfonylpropanamide;2-methylpropanoic acid;2-methyl-N-(2-propoxyethyl)propanamide;2-methyl-N-propylpropanamide;2-methyl-N-(2H-tetrazol-5-yl)propanamide;propane-2-sulfonic acid;5-propan-2-yl-1,2-dihydropyrrol-3-one;3-propan-2-yl-4H-1,2,4-oxadiazol-5-one;5-propan-2-yl-1,2-oxazol-3-one;N-propan-2-ylsulfonylacetamide;5-propan-2-yl-2H-tetrazole;N-pyridin-2-ylpropane-2-sulfonamide (PubChem CID 158365118) has the molecular formula C97H188N24O33S5 and a molecular weight of 2379.04 g/mol. Its IUPAC name is N-acetyl-2-methylpropanamide;N-(dimethylamino-methylidene-oxo-λ6-sulfanyl)-2-methylpropanamide;N-hydroxy-2-methylpropanamide;N-methoxy-2-methylpropanamide;methyl 3-hydroxy-4-methylpent-2-enoate;2-methyl-N-methylsulfonylpropanamide;2-methylpropanoic acid;2-methyl-N-(2-propoxyethyl)propanamide;2-methyl-N-propylpropanamide;2-methyl-N-(2H-tetrazol-5-yl)propanamide;propane-2-sulfonic acid;5-propan-2-yl-1,2-dihydropyrrol-3-one;3-propan-2-yl-4H-1,2,4-oxadiazol-5-one;5-propan-2-yl-1,2-oxazol-3-one;N-propan-2-ylsulfonylacetamide;5-propan-2-yl-2H-tetrazole;N-pyridin-2-ylpropane-2-sulfonamide.
| Compound Name | N-acetyl-2-methylpropanamide;N-(dimethylamino-methylidene-oxo-λ6-sulfanyl)-2-methylpropanamide;N-hydroxy-2-methylpropanamide;N-methoxy-2-methylpropanamide;methyl 3-hydroxy-4-methylpent-2-enoate;2-methyl-N-methylsulfonylpropanamide;2-methylpropanoic acid;2-methyl-N-(2-propoxyethyl)propanamide;2-methyl-N-propylpropanamide;2-methyl-N-(2H-tetrazol-5-yl)propanamide;propane-2-sulfonic acid;5-propan-2-yl-1,2-dihydropyrrol-3-one;3-propan-2-yl-4H-1,2,4-oxadiazol-5-one;5-propan-2-yl-1,2-oxazol-3-one;N-propan-2-ylsulfonylacetamide;5-propan-2-yl-2H-tetrazole;N-pyridin-2-ylpropane-2-sulfonamide |
|---|---|
| PubChem CID | 158365118 |
| Molecular Formula | C97H188N24O33S5 |
| Molecular Weight | 2379.04 g/mol |
| Exact Mass | 2377.24 |
| IUPAC Name | N-acetyl-2-methylpropanamide;N-(dimethylamino-methylidene-oxo-λ6-sulfanyl)-2-methylpropanamide;N-hydroxy-2-methylpropanamide;N-methoxy-2-methylpropanamide;methyl 3-hydroxy-4-methylpent-2-enoate;2-methyl-N-methylsulfonylpropanamide;2-methylpropanoic acid;2-methyl-N-(2-propoxyethyl)propanamide;2-methyl-N-propylpropanamide;2-methyl-N-(2H-tetrazol-5-yl)propanamide;propane-2-sulfonic acid;5-propan-2-yl-1,2-dihydropyrrol-3-one;3-propan-2-yl-4H-1,2,4-oxadiazol-5-one;5-propan-2-yl-1,2-oxazol-3-one;N-propan-2-ylsulfonylacetamide;5-propan-2-yl-2H-tetrazole;N-pyridin-2-ylpropane-2-sulfonamide |
| SMILES | C=S(=O)(NC(=O)C(C)C)N(C)C.CC(=O)NC(=O)C(C)C.CC(=O)NS(=O)(=O)C(C)C.CC(C)C(=O)NO.CC(C)C(=O)NS(C)(=O)=O.CC(C)C(=O)Nc1nn[nH]n1.CC(C)C(=O)O.CC(C)C1=CC(=O)CN1.CC(C)S(=O)(=O)Nc1ccccn1.CC(C)S(=O)(=O)O.CC(C)c1cc(=O)[nH]o1.CC(C)c1nn[nH]n1.CC(C)c1noc(=O)[nH]1.CCCNC(=O)C(C)C.CCCOCCNC(=O)C(C)C.COC(=O)C=C(O)C(C)C.CONC(=O)C(C)C |
| InChI | InChI=1S/C9H19NO2.C8H12N2O2S.C7H16N2O2S.C7H11NO.C7H15NO.C7H12O3.C6H9NO2.C6H11NO2.C5H9N5O.C5H8N2O2.2C5H11NO3S.C5H11NO2.C4H8N4.C4H9NO2.C4H8O2.C3H8O3S/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)7(10)8-12(5,11)9(3)4;1-5(2)7-3-6(9)4-8-7;1-4-5-8-7(9)6(2)3;1-5(2)6(8)4-7(9)10-3;1-4(2)5-3-6(8)7-9-5;1-4(2)6(9)7-5(3)8;1-3(2)4(11)6-5-7-9-10-8-5;1-3(2)4-6-5(8)9-7-4;1-4(2)5(7)6-10(3,8)9;1-4(2)10(8,9)6-5(3)7;1-4(2)5(7)6-8-3;1-3(2)4-5-7-8-6-4;1-3(2)4(6)5-7;1-3(2)4(5)6;1-3(2)7(4,5)6/h8H,4-7H2,1-3H3,(H,10,11);3-7H,1-2H3,(H,9,10);6H,5H2,1-4H3,(H,8,10,11);3,5,8H,4H2,1-2H3;6H,4-5H2,1-3H3,(H,8,9);4-5,8H,1-3H3;3-4H,1-2H3,(H,7,8);4H,1-3H3,(H,7,8,9);3H,1-2H3,(H2,6,7,8,9,10,11);3H,1-2H3,(H,6,7,8);2*4H,1-3H3,(H,6,7);4H,1-3H3,(H,6,7);3H,1-2H3,(H,5,6,7,8);3,7H,1-2H3,(H,5,6);3H,1-2H3,(H,5,6);3H,1-2H3,(H,4,5,6) |
| InChIKey | PUFOWWIDCGIFHT-UHFFFAOYSA-N |
| XLogP | 8.46 |
| TPSA | 846.42 Ų |
| H-Bond Donors | 19 |
| H-Bond Acceptors | 40 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 159 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2379.04 |
| LogP ≤ 5 | 8.46 |
| H-Bond Donors ≤ 5 | 19 |
| H-Bond Acceptors ≤ 10 | 40 |
| Structural Alerts | {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
|---|