N-benzyl-3-chloro-N-methyl-1-benzothiophene-2-carboxamide
TL;DR: N-benzyl-3-chloro-N-methyl-1-benzothiophene-2-carboxamide (CAS 162090-74-6) is a chemical compound with molecular formula C17H14ClNOS and molecular weight 315.04846 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-benzyl-3-chloro-N-methyl-1-benzothiophene-2-carboxamide
Also Known As: 1-p-Hydroxyphenyl-pyrazol, N-benzyl-3-chloro-N-methyl-1-benzothiophene-2-carboxamide, IFLab1_000220, IDI1_008439, N-benzyl-3-chloro-N-methylbenzo[b]thiophene-2-carboxamide
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C17H14ClNOS |
| Molecular Weight | 315.04846 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 48.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.04846 Da |
| Heavy Atoms | 21 |
| Complexity | 372.0 |
| SMILES | CN(CC1=CC=CC=C1)C(=O)C2=C(C3=CC=CC=C3S2)Cl |
| InChIKey | IYNGZFWYQMVNFX-UHFFFAOYSA-N |
Chemical Property Profile of N-benzyl-3-chloro-N-methyl-1-benzothiophene-2-carboxamide
Property Insights of N-benzyl-3-chloro-N-methyl-1-benzothiophene-2-carboxamide
The XLogP value of 4.9 indicates that N-benzyl-3-chloro-N-methyl-1-benzothiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.6 Ų, N-benzyl-3-chloro-N-methyl-1-benzothiophene-2-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-3-chloro-N-methyl-1-benzothiophene-2-carboxamide has 0 hydrogen bond donor(s) and 2 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-benzyl-3-chloro-N-methyl-1-benzothiophene-2-carboxamide?
The CAS number of N-benzyl-3-chloro-N-methyl-1-benzothiophene-2-carboxamide is 162090-74-6.
What is the molecular formula of N-benzyl-3-chloro-N-methyl-1-benzothiophene-2-carboxamide?
The molecular formula of N-benzyl-3-chloro-N-methyl-1-benzothiophene-2-carboxamide is C17H14ClNOS.
What is the molecular weight of N-benzyl-3-chloro-N-methyl-1-benzothiophene-2-carboxamide?
The molecular weight of N-benzyl-3-chloro-N-methyl-1-benzothiophene-2-carboxamide is 315.04846 g/mol.
Where can I buy N-benzyl-3-chloro-N-methyl-1-benzothiophene-2-carboxamide?
You can request a quote for N-benzyl-3-chloro-N-methyl-1-benzothiophene-2-carboxamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-benzyl-3-chloro-N-methyl-1-benzothiophene-2-carboxamide?
Yes, CoreyChem provides custom synthesis services for N-benzyl-3-chloro-N-methyl-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.