C164H168ClN25O23S6 — CID 158904651
1-[(1S)-1-[1-(3-chloro-4-propoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(3,4-dimethylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(4-ethoxy-3-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;ethyl N-[4-[2-[(1S)-1-[(2-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;1-[(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea (PubChem CID 158904651) has the molecular formula C164H168ClN25O23S6 and a molecular weight of 3085.15 g/mol. Its IUPAC name is 1-[(1S)-1-[1-(3-chloro-4-propoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(3,4-dimethylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(4-ethoxy-3-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;ethyl N-[4-[2-[(1S)-1-[(2-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;1-[(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea.
| Compound Name | 1-[(1S)-1-[1-(3-chloro-4-propoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(3,4-dimethylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(4-ethoxy-3-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;ethyl N-[4-[2-[(1S)-1-[(2-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;1-[(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea |
|---|---|
| PubChem CID | 158904651 |
| Molecular Formula | C164H168ClN25O23S6 |
| Molecular Weight | 3085.15 g/mol |
| Exact Mass | 3082.08 |
| IUPAC Name | 1-[(1S)-1-[1-(3-chloro-4-propoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(3,4-dimethylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(4-ethoxy-3-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;ethyl N-[4-[2-[(1S)-1-[(2-methylphenyl)sulfonylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]carbamate;1-[(1S)-1-[1-(3-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea |
| SMILES | CCCOc1ccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2C)cc1Cl.CCOC(=O)Nc1ccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2C)cc1.CCOc1ccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2C)cc1C.Cc1ccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2C)cc1C.Cc1cccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2C)c1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1ccc2c(c1)CCO2 |
| InChI | InChI=1S/C28H29ClN4O4S.C28H29N5O5S.C28H30N4O4S.C27H26N4O4S.C27H28N4O3S.C26H26N4O3S/c1-3-17-37-25-14-13-22(19-23(25)29)33-16-15-30-27(33)24(18-21-10-5-4-6-11-21)31-28(34)32-38(35,36)26-12-8-7-9-20(26)2;1-3-38-28(35)30-22-13-15-23(16-14-22)33-18-17-29-26(33)24(19-21-10-5-4-6-11-21)31-27(34)32-39(36,37)25-12-8-7-9-20(25)2;1-4-36-25-15-14-23(18-21(25)3)32-17-16-29-27(32)24(19-22-11-6-5-7-12-22)30-28(33)31-37(34,35)26-13-9-8-10-20(26)2;1-19-7-5-6-10-25(19)36(33,34)30-27(32)29-23(17-20-8-3-2-4-9-20)26-28-14-15-31(26)22-11-12-24-21(18-22)13-16-35-24;1-19-13-14-23(17-21(19)3)31-16-15-28-26(31)24(18-22-10-5-4-6-11-22)29-27(32)30-35(33,34)25-12-8-7-9-20(25)2;1-19-9-8-13-22(17-19)30-16-15-27-25(30)23(18-21-11-4-3-5-12-21)28-26(31)29-34(32,33)24-14-7-6-10-20(24)2/h4-16,19,24H,3,17-18H2,1-2H3,(H2,31,32,34);4-18,24H,3,19H2,1-2H3,(H,30,35)(H2,31,32,34);5-18,24H,4,19H2,1-3H3,(H2,30,31,33);2-12,14-15,18,23H,13,16-17H2,1H3,(H2,29,30,32);4-17,24H,18H2,1-3H3,(H2,29,30,32);3-17,23H,18H2,1-2H3,(H2,28,29,31)/t3*24-;23-;24-;23-/m000000/s1 |
| InChIKey | JFWVJISVHCDJII-MDZUIKHDSA-N |
| XLogP | 28.49 |
| TPSA | 624.56 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 49 |
| Heavy Atoms | 219 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3085.15 |
| LogP ≤ 5 | 28.49 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 35 |