C187H165N31O16S2 — CID 161222754
N-[1-(1H-benzimidazol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]benzamide;N-[1-(1,3-benzothiazol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]benzamide;N-[1-(1,3-benzothiazol-7-ylamino)-1-oxo-3-phenylpropan-2-yl]benzamide;N-[1-(2H-benzotriazol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]benzamide;N-[1-[(3-methylbenzimidazol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide;N-[1-[(3-methylbenzotriazol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide;N-[1-[(1-methylindazol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide;N-[1-[(1-methylindol-7-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide (PubChem CID 161222754) has the molecular formula C187H165N31O16S2 and a molecular weight of 3166.71 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]benzamide;N-[1-(1,3-benzothiazol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]benzamide;N-[1-(1,3-benzothiazol-7-ylamino)-1-oxo-3-phenylpropan-2-yl]benzamide;N-[1-(2H-benzotriazol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]benzamide;N-[1-[(3-methylbenzimidazol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide;N-[1-[(3-methylbenzotriazol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide;N-[1-[(1-methylindazol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide;N-[1-[(1-methylindol-7-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide.
| Compound Name | N-[1-(1H-benzimidazol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]benzamide;N-[1-(1,3-benzothiazol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]benzamide;N-[1-(1,3-benzothiazol-7-ylamino)-1-oxo-3-phenylpropan-2-yl]benzamide;N-[1-(2H-benzotriazol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]benzamide;N-[1-[(3-methylbenzimidazol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide;N-[1-[(3-methylbenzotriazol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide;N-[1-[(1-methylindazol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide;N-[1-[(1-methylindol-7-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide |
|---|---|
| PubChem CID | 161222754 |
| Molecular Formula | C187H165N31O16S2 |
| Molecular Weight | 3166.71 g/mol |
| Exact Mass | 3164.25 |
| IUPAC Name | N-[1-(1H-benzimidazol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]benzamide;N-[1-(1,3-benzothiazol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]benzamide;N-[1-(1,3-benzothiazol-7-ylamino)-1-oxo-3-phenylpropan-2-yl]benzamide;N-[1-(2H-benzotriazol-4-ylamino)-1-oxo-3-phenylpropan-2-yl]benzamide;N-[1-[(3-methylbenzimidazol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide;N-[1-[(3-methylbenzotriazol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide;N-[1-[(1-methylindazol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide;N-[1-[(1-methylindol-7-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide |
| SMILES | Cn1ccc2cccc(NC(=O)C(Cc3ccccc3)NC(=O)c3ccccc3)c21.Cn1cnc2cccc(NC(=O)C(Cc3ccccc3)NC(=O)c3ccccc3)c21.Cn1ncc2c(NC(=O)C(Cc3ccccc3)NC(=O)c3ccccc3)cccc21.Cn1nnc2cccc(NC(=O)C(Cc3ccccc3)NC(=O)c3ccccc3)c21.O=C(NC(Cc1ccccc1)C(=O)Nc1cccc2[nH]cnc12)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Nc1cccc2n[nH]nc12)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Nc1cccc2ncsc12)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Nc1cccc2scnc12)c1ccccc1 |
| InChI | InChI=1S/C25H23N3O2.2C24H22N4O2.C23H21N5O2.C23H20N4O2.2C23H19N3O2S.C22H19N5O2/c1-28-16-15-19-13-8-14-21(23(19)28)26-25(30)22(17-18-9-4-2-5-10-18)27-24(29)20-11-6-3-7-12-20;1-28-22-14-8-13-20(19(22)16-25-28)26-24(30)21(15-17-9-4-2-5-10-17)27-23(29)18-11-6-3-7-12-18;1-28-16-25-19-13-8-14-20(22(19)28)26-24(30)21(15-17-9-4-2-5-10-17)27-23(29)18-11-6-3-7-12-18;1-28-21-18(13-8-14-19(21)26-27-28)24-23(30)20(15-16-9-4-2-5-10-16)25-22(29)17-11-6-3-7-12-17;28-22(17-10-5-2-6-11-17)27-20(14-16-8-3-1-4-9-16)23(29)26-19-13-7-12-18-21(19)25-15-24-18;27-22(17-10-5-2-6-11-17)26-19(14-16-8-3-1-4-9-16)23(28)25-18-12-7-13-20-21(18)24-15-29-20;27-22(17-10-5-2-6-11-17)26-20(14-16-8-3-1-4-9-16)23(28)25-19-13-7-12-18-21(19)29-15-24-18;28-21(16-10-5-2-6-11-16)24-19(14-15-8-3-1-4-9-15)22(29)23-17-12-7-13-18-20(17)26-27-25-18/h2-16,22H,17H2,1H3,(H,26,30)(H,27,29);2*2-14,16,21H,15H2,1H3,(H,26,30)(H,27,29);2-14,20H,15H2,1H3,(H,24,30)(H,25,29);1-13,15,20H,14H2,(H,24,25)(H,26,29)(H,27,28);1-13,15,19H,14H2,(H,25,28)(H,26,27);1-13,15,20H,14H2,(H,25,28)(H,26,27);1-13,19H,14H2,(H,23,29)(H,24,28)(H,25,26,27) |
| InChIKey | UXSSZQXAOHGOOA-UHFFFAOYSA-N |
| XLogP | 29.25 |
| TPSA | 632.91 Ų |
| H-Bond Donors | 18 |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 48 |
| Heavy Atoms | 236 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3166.71 |
| LogP ≤ 5 | 29.25 |
| H-Bond Donors ≤ 5 | 18 |
| H-Bond Acceptors ≤ 10 | 31 |