C97H120N16O15S2 — CID 157462510
N-methylbenzamide;N-methylcyclohexanecarboxamide;N-methylcyclopentanecarboxamide;N-methylcyclopropanecarboxamide;N-methylfuran-2-carboxamide;N-methylfuran-3-carboxamide;N-methylnaphthalene-1-carboxamide;N-methylnaphthalene-2-carboxamide;N-methylpyridine-2-carboxamide;N-methylpyridine-3-carboxamide;N-methylpyridine-4-carboxamide;N-methylthiophene-2-carboxamide;N-methylthiophene-3-carboxamide (PubChem CID 157462510) has the molecular formula C97H120N16O15S2 and a molecular weight of 1814.26 g/mol. Its IUPAC name is N-methylbenzamide;N-methylcyclohexanecarboxamide;N-methylcyclopentanecarboxamide;N-methylcyclopropanecarboxamide;N-methylfuran-2-carboxamide;N-methylfuran-3-carboxamide;N-methylnaphthalene-1-carboxamide;N-methylnaphthalene-2-carboxamide;N-methylpyridine-2-carboxamide;N-methylpyridine-3-carboxamide;N-methylpyridine-4-carboxamide;N-methylthiophene-2-carboxamide;N-methylthiophene-3-carboxamide.
| Compound Name | N-methylbenzamide;N-methylcyclohexanecarboxamide;N-methylcyclopentanecarboxamide;N-methylcyclopropanecarboxamide;N-methylfuran-2-carboxamide;N-methylfuran-3-carboxamide;N-methylnaphthalene-1-carboxamide;N-methylnaphthalene-2-carboxamide;N-methylpyridine-2-carboxamide;N-methylpyridine-3-carboxamide;N-methylpyridine-4-carboxamide;N-methylthiophene-2-carboxamide;N-methylthiophene-3-carboxamide |
|---|---|
| PubChem CID | 157462510 |
| Molecular Formula | C97H120N16O15S2 |
| Molecular Weight | 1814.26 g/mol |
| Exact Mass | 1812.86 |
| IUPAC Name | N-methylbenzamide;N-methylcyclohexanecarboxamide;N-methylcyclopentanecarboxamide;N-methylcyclopropanecarboxamide;N-methylfuran-2-carboxamide;N-methylfuran-3-carboxamide;N-methylnaphthalene-1-carboxamide;N-methylnaphthalene-2-carboxamide;N-methylpyridine-2-carboxamide;N-methylpyridine-3-carboxamide;N-methylpyridine-4-carboxamide;N-methylthiophene-2-carboxamide;N-methylthiophene-3-carboxamide |
| SMILES | CNC(=O)C1CC1.CNC(=O)C1CCCC1.CNC(=O)C1CCCCC1.CNC(=O)c1ccc2ccccc2c1.CNC(=O)c1cccc2ccccc12.CNC(=O)c1ccccc1.CNC(=O)c1ccccn1.CNC(=O)c1cccnc1.CNC(=O)c1ccco1.CNC(=O)c1cccs1.CNC(=O)c1ccncc1.CNC(=O)c1ccoc1.CNC(=O)c1ccsc1 |
| InChI | InChI=1S/2C12H11NO.C8H15NO.C8H9NO.3C7H8N2O.C7H13NO.2C6H7NO2.2C6H7NOS.C5H9NO/c1-13-12(14)11-8-4-6-9-5-2-3-7-10(9)11;1-13-12(14)11-7-6-9-4-2-3-5-10(9)8-11;2*1-9-8(10)7-5-3-2-4-6-7;1-8-7(10)6-2-4-9-5-3-6;1-8-7(10)6-3-2-4-9-5-6;1-8-7(10)6-4-2-3-5-9-6;1-8-7(9)6-4-2-3-5-6;1-7-6(8)5-2-3-9-4-5;1-7-6(8)5-3-2-4-9-5;1-7-6(8)5-2-3-9-4-5;1-7-6(8)5-3-2-4-9-5;1-6-5(7)4-2-3-4/h2*2-8H,1H3,(H,13,14);7H,2-6H2,1H3,(H,9,10);2-6H,1H3,(H,9,10);3*2-5H,1H3,(H,8,10);6H,2-5H2,1H3,(H,8,9);4*2-4H,1H3,(H,7,8);4H,2-3H2,1H3,(H,6,7) |
| InChIKey | BUCAVBBKWWPXMP-UHFFFAOYSA-N |
| XLogP | 12.64 |
| TPSA | 443.25 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 13 |
| Heavy Atoms | 130 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1814.26 |
| LogP ≤ 5 | 12.64 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 20 |