C106H151N23O39S10 — CID 159612282
N-[2-(2-methylpropanoylsulfamoyl)ethyl]benzamide;N-[2-(2-methylpropanoylsulfamoyl)ethyl]furan-2-carboxamide;N-[2-(2-methylpropanoylsulfamoyl)ethyl]furan-3-carboxamide;N-[2-(2-methylpropanoylsulfamoyl)ethyl]naphthalene-2-carboxamide;N-[2-(2-methylpropanoylsulfamoyl)ethyl]-1,3-oxazole-5-carboxamide;N-[2-(2-methylpropanoylsulfamoyl)ethyl]pyridine-2-carboxamide;N-[2-(2-methylpropanoylsulfamoyl)ethyl]-2H-pyrrole-3-carboxamide;N-[2-(2-methylpropanoylsulfamoyl)ethyl]-3H-pyrrole-4-carboxamide;N-[2-(2-methylpropanoylsulfamoyl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 159612282) has the molecular formula C106H151N23O39S10 and a molecular weight of 2692.17 g/mol. Its IUPAC name is N-[2-(2-methylpropanoylsulfamoyl)ethyl]benzamide;N-[2-(2-methylpropanoylsulfamoyl)ethyl]furan-2-carboxamide;N-[2-(2-methylpropanoylsulfamoyl)ethyl]furan-3-carboxamide;N-[2-(2-methylpropanoylsulfamoyl)ethyl]naphthalene-2-carboxamide;N-[2-(2-methylpropanoylsulfamoyl)ethyl]-1,3-oxazole-5-carboxamide;N-[2-(2-methylpropanoylsulfamoyl)ethyl]pyridine-2-carboxamide;N-[2-(2-methylpropanoylsulfamoyl)ethyl]-2H-pyrrole-3-carboxamide;N-[2-(2-methylpropanoylsulfamoyl)ethyl]-3H-pyrrole-4-carboxamide;N-[2-(2-methylpropanoylsulfamoyl)ethyl]-1,3-thiazole-5-carboxamide.
| Compound Name | N-[2-(2-methylpropanoylsulfamoyl)ethyl]benzamide;N-[2-(2-methylpropanoylsulfamoyl)ethyl]furan-2-carboxamide;N-[2-(2-methylpropanoylsulfamoyl)ethyl]furan-3-carboxamide;N-[2-(2-methylpropanoylsulfamoyl)ethyl]naphthalene-2-carboxamide;N-[2-(2-methylpropanoylsulfamoyl)ethyl]-1,3-oxazole-5-carboxamide;N-[2-(2-methylpropanoylsulfamoyl)ethyl]pyridine-2-carboxamide;N-[2-(2-methylpropanoylsulfamoyl)ethyl]-2H-pyrrole-3-carboxamide;N-[2-(2-methylpropanoylsulfamoyl)ethyl]-3H-pyrrole-4-carboxamide;N-[2-(2-methylpropanoylsulfamoyl)ethyl]-1,3-thiazole-5-carboxamide |
|---|---|
| PubChem CID | 159612282 |
| Molecular Formula | C106H151N23O39S10 |
| Molecular Weight | 2692.17 g/mol |
| Exact Mass | 2689.77 |
| IUPAC Name | N-[2-(2-methylpropanoylsulfamoyl)ethyl]benzamide;N-[2-(2-methylpropanoylsulfamoyl)ethyl]furan-2-carboxamide;N-[2-(2-methylpropanoylsulfamoyl)ethyl]furan-3-carboxamide;N-[2-(2-methylpropanoylsulfamoyl)ethyl]naphthalene-2-carboxamide;N-[2-(2-methylpropanoylsulfamoyl)ethyl]-1,3-oxazole-5-carboxamide;N-[2-(2-methylpropanoylsulfamoyl)ethyl]pyridine-2-carboxamide;N-[2-(2-methylpropanoylsulfamoyl)ethyl]-2H-pyrrole-3-carboxamide;N-[2-(2-methylpropanoylsulfamoyl)ethyl]-3H-pyrrole-4-carboxamide;N-[2-(2-methylpropanoylsulfamoyl)ethyl]-1,3-thiazole-5-carboxamide |
| SMILES | CC(C)C(=O)NS(=O)(=O)CCNC(=O)C1=CC=NC1.CC(C)C(=O)NS(=O)(=O)CCNC(=O)C1=CN=CC1.CC(C)C(=O)NS(=O)(=O)CCNC(=O)c1ccc2ccccc2c1.CC(C)C(=O)NS(=O)(=O)CCNC(=O)c1ccccc1.CC(C)C(=O)NS(=O)(=O)CCNC(=O)c1ccccn1.CC(C)C(=O)NS(=O)(=O)CCNC(=O)c1ccco1.CC(C)C(=O)NS(=O)(=O)CCNC(=O)c1ccoc1.CC(C)C(=O)NS(=O)(=O)CCNC(=O)c1cnco1.CC(C)C(=O)NS(=O)(=O)CCNC(=O)c1cncs1 |
| InChI | InChI=1S/C17H20N2O4S.C13H18N2O4S.C12H17N3O4S.2C11H17N3O4S.2C11H16N2O5S.C10H15N3O5S.C10H15N3O4S2/c1-12(2)16(20)19-24(22,23)10-9-18-17(21)15-8-7-13-5-3-4-6-14(13)11-15;1-10(2)12(16)15-20(18,19)9-8-14-13(17)11-6-4-3-5-7-11;1-9(2)11(16)15-20(18,19)8-7-14-12(17)10-5-3-4-6-13-10;2*1-8(2)10(15)14-19(17,18)6-5-13-11(16)9-3-4-12-7-9;1-8(2)10(14)13-19(16,17)6-4-12-11(15)9-3-5-18-7-9;1-8(2)10(14)13-19(16,17)7-5-12-11(15)9-4-3-6-18-9;2*1-7(2)9(14)13-19(16,17)4-3-12-10(15)8-5-11-6-18-8/h3-8,11-12H,9-10H2,1-2H3,(H,18,21)(H,19,20);3-7,10H,8-9H2,1-2H3,(H,14,17)(H,15,16);3-6,9H,7-8H2,1-2H3,(H,14,17)(H,15,16);4,7-8H,3,5-6H2,1-2H3,(H,13,16)(H,14,15);3-4,8H,5-7H2,1-2H3,(H,13,16)(H,14,15);3,5,7-8H,4,6H2,1-2H3,(H,12,15)(H,13,14);3-4,6,8H,5,7H2,1-2H3,(H,12,15)(H,13,14);2*5-7H,3-4H2,1-2H3,(H,12,15)(H,13,14) |
| InChIKey | MMVRNUMDVIWICX-UHFFFAOYSA-N |
| XLogP | 0.59 |
| TPSA | 933.87 Ų |
| H-Bond Donors | 18 |
| H-Bond Acceptors | 45 |
| Rotatable Bonds | 54 |
| Heavy Atoms | 178 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2692.17 |
| LogP ≤ 5 | 0.59 |
| H-Bond Donors ≤ 5 | 18 |
| H-Bond Acceptors ≤ 10 | 45 |