C143H148ClN11O19S — CID 158904439
4-[4-[2-[N-(1,3-benzothiazol-2-yl)anilino]ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(4-chloro-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(6-methoxy-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(4-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-phenylanilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-pyridin-3-ylanilino)ethoxy]phenyl]butanoic acid (PubChem CID 158904439) has the molecular formula C143H148ClN11O19S and a molecular weight of 2392.33 g/mol. Its IUPAC name is 4-[4-[2-[N-(1,3-benzothiazol-2-yl)anilino]ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(4-chloro-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(6-methoxy-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(4-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-phenylanilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-pyridin-3-ylanilino)ethoxy]phenyl]butanoic acid.
| Compound Name | 4-[4-[2-[N-(1,3-benzothiazol-2-yl)anilino]ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(4-chloro-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(6-methoxy-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(4-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-phenylanilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-pyridin-3-ylanilino)ethoxy]phenyl]butanoic acid |
|---|---|
| PubChem CID | 158904439 |
| Molecular Formula | C143H148ClN11O19S |
| Molecular Weight | 2392.33 g/mol |
| Exact Mass | 2390.04 |
| IUPAC Name | 4-[4-[2-[N-(1,3-benzothiazol-2-yl)anilino]ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(4-chloro-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(6-methoxy-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-(4-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-phenylanilino)ethoxy]phenyl]butanoic acid;4-[4-[2-(N-pyridin-3-ylanilino)ethoxy]phenyl]butanoic acid |
| SMILES | COc1cccc(N(CCOc2ccc(CCCC(=O)O)cc2)c2ccccc2)n1.Cc1ccnc(N(CCOc2ccc(CCCC(=O)O)cc2)c2ccccc2)c1.O=C(O)CCCc1ccc(OCCN(c2ccccc2)c2cc(Cl)ccn2)cc1.O=C(O)CCCc1ccc(OCCN(c2ccccc2)c2ccccc2)cc1.O=C(O)CCCc1ccc(OCCN(c2ccccc2)c2cccnc2)cc1.O=C(O)CCCc1ccc(OCCN(c2ccccc2)c2nc3ccccc3s2)cc1 |
| InChI | InChI=1S/C25H24N2O3S.C24H26N2O4.C24H26N2O3.C24H25NO3.C23H23ClN2O3.C23H24N2O3/c28-24(29)12-6-7-19-13-15-21(16-14-19)30-18-17-27(20-8-2-1-3-9-20)25-26-22-10-4-5-11-23(22)31-25;1-29-23-11-6-10-22(25-23)26(20-8-3-2-4-9-20)17-18-30-21-15-13-19(14-16-21)7-5-12-24(27)28;1-19-14-15-25-23(18-19)26(21-7-3-2-4-8-21)16-17-29-22-12-10-20(11-13-22)6-5-9-24(27)28;26-24(27)13-7-8-20-14-16-23(17-15-20)28-19-18-25(21-9-3-1-4-10-21)22-11-5-2-6-12-22;24-19-13-14-25-22(17-19)26(20-6-2-1-3-7-20)15-16-29-21-11-9-18(10-12-21)5-4-8-23(27)28;26-23(27)10-4-6-19-11-13-22(14-12-19)28-17-16-25(20-7-2-1-3-8-20)21-9-5-15-24-18-21/h1-5,8-11,13-16H,6-7,12,17-18H2,(H,28,29);2-4,6,8-11,13-16H,5,7,12,17-18H2,1H3,(H,27,28);2-4,7-8,10-15,18H,5-6,9,16-17H2,1H3,(H,27,28);1-6,9-12,14-17H,7-8,13,18-19H2,(H,26,27);1-3,6-7,9-14,17H,4-5,8,15-16H2,(H,27,28);1-3,5,7-9,11-15,18H,4,6,10,16-17H2,(H,26,27) |
| InChIKey | JFWCSRAKZMBNSR-UHFFFAOYSA-N |
| XLogP | 31.03 |
| TPSA | 372.30 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 61 |
| Heavy Atoms | 175 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2392.33 |
| LogP ≤ 5 | 31.03 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 25 |