N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2-dimethylpropanamide
TL;DR: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2-dimethylpropanamide (CAS 142994-48-7) is a chemical compound with molecular formula C14H18N2OS and molecular weight 262.11398 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2-dimethylpropanamide
Also Known As: BAS 00604739, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2-dimethylpropanamide, F0016-0387, N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)pivalamide, N-(3-cyano-1-thia-4,5,6,7-tetrahydro-2-indenyl)2,2-dimethylpropionamide
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H18N2OS |
| Molecular Weight | 262.11398 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 81.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.11398 Da |
| Heavy Atoms | 18 |
| Complexity | 379.0 |
| SMILES | CC(C)(C)C(=O)NC1=C(C2=C(S1)CCCC2)C#N |
| InChIKey | UKENMJDIHMOPFY-UHFFFAOYSA-N |
Chemical Property Profile of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2-dimethylpropanamide
Property Insights of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2-dimethylpropanamide
The XLogP value of 4.0 indicates that N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2-dimethylpropanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2-dimethylpropanamide. Following Lipinski's Rule of Five, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2-dimethylpropanamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2-dimethylpropanamide?
The CAS number of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2-dimethylpropanamide is 142994-48-7.
What is the molecular formula of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2-dimethylpropanamide?
The molecular formula of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2-dimethylpropanamide is C14H18N2OS.
What is the molecular weight of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2-dimethylpropanamide?
The molecular weight of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2-dimethylpropanamide is 262.11398 g/mol.
Where can I buy N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2-dimethylpropanamide?
You can request a quote for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2-dimethylpropanamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2-dimethylpropanamide?
Yes, CoreyChem provides custom synthesis services for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2-dimethylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.