TL;DR: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{[2-(dimethylamino)ethyl]amino}acetamide (CAS 1009496-77-8) is a chemical compound with molecular formula C16H24N4OS and molecular weight 320.16708 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[2-(dimethylamino)ethylamino]acetamide
Also Known As: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{[2-(dimethylamino)ethyl]amino}acetamide, N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[2-(dimethylamino)ethylamino]acetamide, N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-dimethylaminoethylamino)acetamide, N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{2-(dimethylamino)ethylamino}acetamide, N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(2-dimethylaminoethylamino)acetamide
| Molecular Formula | C16H24N4OS |
| Molecular Weight | 320.16708 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 96.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 320.16708 Da |
| Heavy Atoms | 22 |
| Complexity | 433.0 |
| SMILES | CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CNCCN(C)C |
| InChIKey | RXBUCVNSYVNIQH-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{[2-(dimethylamino)ethyl]amino}acetamide. The TPSA of 96.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{[2-(dimethylamino)ethyl]amino}acetamide. Following Lipinski's Rule of Five, N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{[2-(dimethylamino)ethyl]amino}acetamide 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 N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{[2-(dimethylamino)ethyl]amino}acetamide is 1009496-77-8.
The molecular formula of N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{[2-(dimethylamino)ethyl]amino}acetamide is C16H24N4OS.
The molecular weight of N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{[2-(dimethylamino)ethyl]amino}acetamide is 320.16708 g/mol.
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