TL;DR: methyl 3-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]thiophene-2-carboxylate (CAS 1024263-82-8) is a chemical compound with molecular formula C16H12N2O4S and molecular weight 328.0518 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]thiophene-2-carboxylate
Also Known As: methyl 3-[2-(1H-indol-3-yl)-2-oxoacetamido]thiophene-2-carboxylate, methyl 3-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]thiophene-2-carboxylate, METHYL 3-(2-INDOL-3-YL-2-OXOACETYLAMINO)THIOPHENE-2-CARBOXYLATE, Methyl 3-[[2-(1H-indol-3-yl)-2-oxo-acetyl]amino]thiophene-2-carboxylate, methyl 3-(2-indol-3-yl-2-oxoacetylamino)thiophene-2-carboxylate, 98%
| Molecular Formula | C16H12N2O4S |
| Molecular Weight | 328.0518 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 117.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 328.0518 Da |
| Heavy Atoms | 23 |
| Complexity | 498.0 |
| SMILES | COC(=O)C1=C(C=CS1)NC(=O)C(=O)C2=CNC3=CC=CC=C32 |
| InChIKey | QONKUASNWXJLEM-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that methyl 3-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]thiophene-2-carboxylate. Following Lipinski's Rule of Five, methyl 3-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]thiophene-2-carboxylate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of methyl 3-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]thiophene-2-carboxylate is 1024263-82-8.
The molecular formula of methyl 3-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]thiophene-2-carboxylate is C16H12N2O4S.
The molecular weight of methyl 3-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]thiophene-2-carboxylate is 328.0518 g/mol.
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