TL;DR: N-((5-(2-chloroacetyl)thiophen-2-yl)methyl)acetamide (CAS 104082-15-7) is a chemical compound with molecular formula C9H10ClNO2S and molecular weight 231.01208 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[[5-(2-chloroacetyl)thiophen-2-yl]methyl]acetamide
Also Known As: N-{[5-(2-chloroacetyl)thiophen-2-yl]methyl}acetamide, n-[[5-(2-chloroacetyl)thien-2-yl]methyl]acetamide, N-[[5-(2-chloroacetyl)thiophen-2-yl]methyl]acetamide, N-{[5-(2-chloroacetyl)thien-2-yl]methyl}acetamide, N-((5-(2-Chloroacetyl)thiophen-2-yl)methyl)acetamide
| Molecular Formula | C9H10ClNO2S |
| Molecular Weight | 231.01208 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 74.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 231.01208 Da |
| Heavy Atoms | 14 |
| Complexity | 235.0 |
| SMILES | CC(=O)NCC1=CC=C(S1)C(=O)CCl |
| InChIKey | BBDWEMUVRXBMRC-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-((5-(2-chloroacetyl)thiophen-2-yl)methyl)acetamide. The TPSA of 74.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((5-(2-chloroacetyl)thiophen-2-yl)methyl)acetamide. Following Lipinski's Rule of Five, N-((5-(2-chloroacetyl)thiophen-2-yl)methyl)acetamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-((5-(2-chloroacetyl)thiophen-2-yl)methyl)acetamide is 104082-15-7.
The molecular formula of N-((5-(2-chloroacetyl)thiophen-2-yl)methyl)acetamide is C9H10ClNO2S.
The molecular weight of N-((5-(2-chloroacetyl)thiophen-2-yl)methyl)acetamide is 231.01208 g/mol.
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