TL;DR: propyl 4-(4-fluorophenyl)-2-[[2-(4-nitrophenyl)acetyl]amino]thiophene-3-carboxylate (CAS 492428-55-4) is a chemical compound with molecular formula C22H19FN2O5S and molecular weight 442.09988 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
propyl 4-(4-fluorophenyl)-2-[[2-(4-nitrophenyl)acetyl]amino]thiophene-3-carboxylate
Also Known As: propyl 4-(4-fluorophenyl)-2-[[2-(4-nitrophenyl)acetyl]amino]thiophene-3-carboxylate, propyl 4-(4-fluorophenyl)-2-[({4-nitrophenyl}acetyl)amino]-3-thiophenecarboxylate, propyl 4-(4-fluorophenyl)-2-[2-(4-nitrophenyl)acetylamino]thiophene-3-carboxyl ate, propyl 4-(4-fluorophenyl)-2-{[(4-nitrophenyl)acetyl]amino}thiophene-3-carboxylate
| Molecular Formula | C22H19FN2O5S |
| Molecular Weight | 442.09988 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 442.09988 Da |
| Heavy Atoms | 31 |
| Complexity | 630.0 |
| SMILES | CCCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | BXJZPQXYLMMYLV-UHFFFAOYSA-N |
The XLogP value of 5.6 indicates that propyl 4-(4-fluorophenyl)-2-[[2-(4-nitrophenyl)acetyl]amino]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for propyl 4-(4-fluorophenyl)-2-[[2-(4-nitrophenyl)acetyl]amino]thiophene-3-carboxylate. Following Lipinski's Rule of Five, propyl 4-(4-fluorophenyl)-2-[[2-(4-nitrophenyl)acetyl]amino]thiophene-3-carboxylate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of propyl 4-(4-fluorophenyl)-2-[[2-(4-nitrophenyl)acetyl]amino]thiophene-3-carboxylate is 492428-55-4.
The molecular formula of propyl 4-(4-fluorophenyl)-2-[[2-(4-nitrophenyl)acetyl]amino]thiophene-3-carboxylate is C22H19FN2O5S.
The molecular weight of propyl 4-(4-fluorophenyl)-2-[[2-(4-nitrophenyl)acetyl]amino]thiophene-3-carboxylate is 442.09988 g/mol.
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