C206H184N32O16S8 — CID 158839742
N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]thiophene-2-carboxamide;N-[4-[6-(adamantane-1-carbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide;N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]thiophene-3-carboxamide;N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide;N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-3-carboxamide;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-3-carboxamide;N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide (PubChem CID 158839742) has the molecular formula C206H184N32O16S8 and a molecular weight of 3620.48 g/mol. Its IUPAC name is N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]thiophene-2-carboxamide;N-[4-[6-(adamantane-1-carbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide;N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]thiophene-3-carboxamide;N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide;N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-3-carboxamide;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-3-carboxamide;N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide.
| Compound Name | N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]thiophene-2-carboxamide;N-[4-[6-(adamantane-1-carbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide;N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]thiophene-3-carboxamide;N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide;N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-3-carboxamide;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-3-carboxamide;N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide |
|---|---|
| PubChem CID | 158839742 |
| Molecular Formula | C206H184N32O16S8 |
| Molecular Weight | 3620.48 g/mol |
| Exact Mass | 3617.23 |
| IUPAC Name | N-[4-(6-acetamido-1H-benzimidazol-2-yl)phenyl]thiophene-2-carboxamide;N-[4-[6-(adamantane-1-carbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide;N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]thiophene-3-carboxamide;N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide;N-[4-[6-(bicyclo[2.2.1]heptane-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-3-carboxamide;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide;N-[4-[6-(cycloheptanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-3-carboxamide;N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide |
| SMILES | CC(=O)Nc1ccc2nc(-c3ccc(NC(=O)c4cccs4)cc3)[nH]c2c1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3[nH]2)cc1)c1cccs1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CC4c4ccccc4)cc3[nH]2)cc1)c1cccs1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CC5CCC4C5)cc3[nH]2)cc1)c1cccs1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CC5CCC4C5)cc3[nH]2)cc1)c1ccsc1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CCCCCC4)cc3[nH]2)cc1)c1cccs1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CCCCCC4)cc3[nH]2)cc1)c1ccsc1.O=C(Nc1ccc2nc(-c3ccc(NC(=O)c4ccsc4)cc3)[nH]c2c1)c1ccccc1 |
| InChI | InChI=1S/C29H28N4O2S.C28H22N4O2S.2C26H24N4O2S.2C26H26N4O2S.C25H18N4O2S.C20H16N4O2S/c34-27(25-2-1-9-36-25)30-21-5-3-20(4-6-21)26-32-23-8-7-22(13-24(23)33-26)31-28(35)29-14-17-10-18(15-29)12-19(11-17)16-29;33-27(22-16-21(22)17-5-2-1-3-6-17)30-20-12-13-23-24(15-20)32-26(31-23)18-8-10-19(11-9-18)29-28(34)25-7-4-14-35-25;31-25(18-9-10-33-14-18)27-19-5-3-16(4-6-19)24-29-22-8-7-20(13-23(22)30-24)28-26(32)21-12-15-1-2-17(21)11-15;31-25(20-13-15-3-4-17(20)12-15)28-19-9-10-21-22(14-19)30-24(29-21)16-5-7-18(8-6-16)27-26(32)23-2-1-11-33-23;31-25(18-6-3-1-2-4-7-18)28-20-13-14-21-22(16-20)30-24(29-21)17-9-11-19(12-10-17)27-26(32)23-8-5-15-33-23;31-25(18-5-3-1-2-4-6-18)28-21-11-12-22-23(15-21)30-24(29-22)17-7-9-20(10-8-17)27-26(32)19-13-14-33-16-19;30-24(17-4-2-1-3-5-17)27-20-10-11-21-22(14-20)29-23(28-21)16-6-8-19(9-7-16)26-25(31)18-12-13-32-15-18;1-12(25)21-15-8-9-16-17(11-15)24-19(23-16)13-4-6-14(7-5-13)22-20(26)18-3-2-10-27-18/h1-9,13,17-19H,10-12,14-16H2,(H,30,34)(H,31,35)(H,32,33);1-15,21-22H,16H2,(H,29,34)(H,30,33)(H,31,32);3-10,13-15,17,21H,1-2,11-12H2,(H,27,31)(H,28,32)(H,29,30);1-2,5-11,14-15,17,20H,3-4,12-13H2,(H,27,32)(H,28,31)(H,29,30);5,8-16,18H,1-4,6-7H2,(H,27,32)(H,28,31)(H,29,30);7-16,18H,1-6H2,(H,27,32)(H,28,31)(H,29,30);1-15H,(H,26,31)(H,27,30)(H,28,29);2-11H,1H3,(H,21,25)(H,22,26)(H,23,24) |
| InChIKey | IYBVYZIBXOCTEH-UHFFFAOYSA-N |
| XLogP | 48.02 |
| TPSA | 695.04 Ų |
| H-Bond Donors | 24 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 40 |
| Heavy Atoms | 262 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3620.48 |
| LogP ≤ 5 | 48.02 |
| H-Bond Donors ≤ 5 | 24 |
| H-Bond Acceptors ≤ 10 | 32 |