C173H171ClN24O23S6 — CID 160884254
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-(4-ethoxy-3-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(3-phenylmethoxyphenyl)imidazol-2-yl]ethyl]urea;1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(4-phenylmethoxyphenyl)imidazol-2-yl]ethyl]urea (PubChem CID 160884254) has the molecular formula C173H171ClN24O23S6 and a molecular weight of 3182.27 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-(4-ethoxy-3-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(3-phenylmethoxyphenyl)imidazol-2-yl]ethyl]urea;1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(4-phenylmethoxyphenyl)imidazol-2-yl]ethyl]urea.
| 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-(4-ethoxy-3-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(3-phenylmethoxyphenyl)imidazol-2-yl]ethyl]urea;1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(4-phenylmethoxyphenyl)imidazol-2-yl]ethyl]urea |
|---|---|
| PubChem CID | 160884254 |
| Molecular Formula | C173H171ClN24O23S6 |
| Molecular Weight | 3182.27 g/mol |
| Exact Mass | 3179.10 |
| 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-(4-ethoxy-3-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-(2-methylphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(3-phenylmethoxyphenyl)imidazol-2-yl]ethyl]urea;1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(4-phenylmethoxyphenyl)imidazol-2-yl]ethyl]urea |
| SMILES | CCCOc1ccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2C)cc1Cl.CCOc1ccc(-n2ccnc2[C@H](Cc2ccccc2)NC(=O)NS(=O)(=O)c2ccccc2C)cc1C.Cc1ccccc1-n1ccnc1[C@H](Cc1ccccc1)NC(=O)NS(=O)(=O)c1ccccc1C.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1ccc(OCc2ccccc2)cc1.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1ccc2c(c1)CCO2.Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)c1nccn1-c1cccc(OCc2ccccc2)c1 |
| InChI | InChI=1S/2C32H30N4O4S.C28H29ClN4O4S.C28H30N4O4S.C27H26N4O4S.C26H26N4O3S/c1-24-11-8-9-18-30(24)41(38,39)35-32(37)34-29(21-25-12-4-2-5-13-25)31-33-19-20-36(31)27-16-10-17-28(22-27)40-23-26-14-6-3-7-15-26;1-24-10-8-9-15-30(24)41(38,39)35-32(37)34-29(22-25-11-4-2-5-12-25)31-33-20-21-36(31)27-16-18-28(19-17-27)40-23-26-13-6-3-7-14-26;1-3-17-37-25-14-13-22(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;1-4-36-25-15-14-23(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;1-19-10-6-8-14-23(19)30-17-16-27-25(30)22(18-21-12-4-3-5-13-21)28-26(31)29-34(32,33)24-15-9-7-11-20(24)2/h2-20,22,29H,21,23H2,1H3,(H2,34,35,37);2-21,29H,22-23H2,1H3,(H2,34,35,37);4-16,19,24H,3,17-18H2,1-2H3,(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);3-17,22H,18H2,1-2H3,(H2,28,29,31)/t2*29-;2*24-;23-;22-/m000000/s1 |
| InChIKey | SNKSLQSUZAUYRV-AKGQFJDLSA-N |
| XLogP | 30.47 |
| TPSA | 604.69 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 53 |
| Heavy Atoms | 227 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3182.27 |
| LogP ≤ 5 | 30.47 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 35 |