C165H204F2N14O17S7 — CID 173071295
N-[(2-benzylphenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;4-(4-fluorophenyl)sulfanyl-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]butanamide;4-(4-fluorophenyl)sulfanyl-N-methyl-N-[(2-propan-2-yloxyphenyl)methyl]butanamide;4-(4-hydroxyphenyl)sulfanyl-N-[[2-(4-hydroxypiperidin-1-yl)phenyl]methyl]-N-methylbutanamide;4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[[2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]methyl]butanamide;4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[(2-phenoxyphenyl)methyl]butanamide;4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[(2-piperazin-1-ylphenyl)methyl]butanamide (PubChem CID 173071295) has the molecular formula C165H204F2N14O17S7 and a molecular weight of 2917.99 g/mol. Its IUPAC name is N-[(2-benzylphenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;4-(4-fluorophenyl)sulfanyl-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]butanamide;4-(4-fluorophenyl)sulfanyl-N-methyl-N-[(2-propan-2-yloxyphenyl)methyl]butanamide;4-(4-hydroxyphenyl)sulfanyl-N-[[2-(4-hydroxypiperidin-1-yl)phenyl]methyl]-N-methylbutanamide;4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[[2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]methyl]butanamide;4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[(2-phenoxyphenyl)methyl]butanamide;4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[(2-piperazin-1-ylphenyl)methyl]butanamide.
| Compound Name | N-[(2-benzylphenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;4-(4-fluorophenyl)sulfanyl-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]butanamide;4-(4-fluorophenyl)sulfanyl-N-methyl-N-[(2-propan-2-yloxyphenyl)methyl]butanamide;4-(4-hydroxyphenyl)sulfanyl-N-[[2-(4-hydroxypiperidin-1-yl)phenyl]methyl]-N-methylbutanamide;4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[[2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]methyl]butanamide;4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[(2-phenoxyphenyl)methyl]butanamide;4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[(2-piperazin-1-ylphenyl)methyl]butanamide |
|---|---|
| PubChem CID | 173071295 |
| Molecular Formula | C165H204F2N14O17S7 |
| Molecular Weight | 2917.99 g/mol |
| Exact Mass | 2915.35 |
| IUPAC Name | N-[(2-benzylphenyl)methyl]-4-(4-hydroxyphenyl)sulfanyl-N-methylbutanamide;4-(4-fluorophenyl)sulfanyl-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]butanamide;4-(4-fluorophenyl)sulfanyl-N-methyl-N-[(2-propan-2-yloxyphenyl)methyl]butanamide;4-(4-hydroxyphenyl)sulfanyl-N-[[2-(4-hydroxypiperidin-1-yl)phenyl]methyl]-N-methylbutanamide;4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[[2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]methyl]butanamide;4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[(2-phenoxyphenyl)methyl]butanamide;4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[(2-piperazin-1-ylphenyl)methyl]butanamide |
| SMILES | CC(C)Oc1ccccc1CN(C)C(=O)CCCSc1ccc(F)cc1.CN(Cc1ccccc1Cc1ccccc1)C(=O)CCCSc1ccc(O)cc1.CN(Cc1ccccc1N1CCC(O)CC1)C(=O)CCCSc1ccc(O)cc1.CN(Cc1ccccc1N1CCN(CCN2CCOCC2)CC1)C(=O)CCCSc1ccc(O)cc1.CN(Cc1ccccc1N1CCNCC1)C(=O)CCCSc1ccc(O)cc1.CN(Cc1ccccc1N1CCOCC1)C(=O)CCCSc1ccc(F)cc1.CN(Cc1ccccc1Oc1ccccc1)C(=O)CCCSc1ccc(O)cc1 |
| InChI | InChI=1S/C28H40N4O3S.C25H27NO2S.C24H25NO3S.C23H30N2O3S.C22H27FN2O2S.C22H29N3O2S.C21H26FNO2S/c1-29(28(34)7-4-22-36-26-10-8-25(33)9-11-26)23-24-5-2-3-6-27(24)32-16-14-30(15-17-32)12-13-31-18-20-35-21-19-31;1-26(25(28)12-7-17-29-24-15-13-23(27)14-16-24)19-22-11-6-5-10-21(22)18-20-8-3-2-4-9-20;1-25(24(27)12-7-17-29-22-15-13-20(26)14-16-22)18-19-8-5-6-11-23(19)28-21-9-3-2-4-10-21;1-24(23(28)7-4-16-29-21-10-8-19(26)9-11-21)17-18-5-2-3-6-22(18)25-14-12-20(27)13-15-25;1-24(22(26)7-4-16-28-20-10-8-19(23)9-11-20)17-18-5-2-3-6-21(18)25-12-14-27-15-13-25;1-24(22(27)7-4-16-28-20-10-8-19(26)9-11-20)17-18-5-2-3-6-21(18)25-14-12-23-13-15-25;1-16(2)25-20-8-5-4-7-17(20)15-23(3)21(24)9-6-14-26-19-12-10-18(22)11-13-19/h2-3,5-6,8-11,33H,4,7,12-23H2,1H3;2-6,8-11,13-16,27H,7,12,17-19H2,1H3;2-6,8-11,13-16,26H,7,12,17-18H2,1H3;2-3,5-6,8-11,20,26-27H,4,7,12-17H2,1H3;2-3,5-6,8-11H,4,7,12-17H2,1H3;2-3,5-6,8-11,23,26H,4,7,12-17H2,1H3;4-5,7-8,10-13,16H,6,9,14-15H2,1-3H3 |
| InChIKey | RXRKKGIDTQFXEO-UHFFFAOYSA-N |
| XLogP | 31.16 |
| TPSA | 331.94 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 62 |
| Heavy Atoms | 205 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2917.99 |
| LogP ≤ 5 | 31.16 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 31 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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