N-(4-tert-butylphenyl)-3-chloro-1-benzothiophene-2-carboxamide
TL;DR: N-(4-tert-butylphenyl)-3-chloro-1-benzothiophene-2-carboxamide (CAS 1004642-98-1) is a chemical compound with molecular formula C19H18ClNOS and molecular weight 343.07977 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(4-tert-butylphenyl)-3-chloro-1-benzothiophene-2-carboxamide
Also Known As: N-(4-tert-butylphenyl)-3-chloro-1-benzothiophene-2-carboxamide, Benzo[b]thiophene-2-carboxamide, 3-chloro-N-[4-(1,1-dimethylethyl)phenyl]-, N-(4-(TERT-BUTYL)PHENYL)(3-CHLOROBENZO[B]THIOPHEN-2-YL)FORMAMIDE, N-(4-tert-butylphenyl)-3-chloro-benzothiophene-2-carboxamide
Technical Specifications
| Molecular Formula | C19H18ClNOS |
| Molecular Weight | 343.07977 g/mol |
| XLogP | 6.4 |
| Topological Polar Surface Area (TPSA) | 57.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 343.07977 Da |
| Heavy Atoms | 23 |
| Complexity | 428.0 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl |
| InChIKey | NZSZVJZOIRJBON-UHFFFAOYSA-N |
Chemical Property Profile of N-(4-tert-butylphenyl)-3-chloro-1-benzothiophene-2-carboxamide
Property Insights of N-(4-tert-butylphenyl)-3-chloro-1-benzothiophene-2-carboxamide
The XLogP value of 6.4 indicates that N-(4-tert-butylphenyl)-3-chloro-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 57.3 Ų, N-(4-tert-butylphenyl)-3-chloro-1-benzothiophene-2-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-tert-butylphenyl)-3-chloro-1-benzothiophene-2-carboxamide has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of N-(4-tert-butylphenyl)-3-chloro-1-benzothiophene-2-carboxamide?
The CAS number of N-(4-tert-butylphenyl)-3-chloro-1-benzothiophene-2-carboxamide is 1004642-98-1.
What is the molecular formula of N-(4-tert-butylphenyl)-3-chloro-1-benzothiophene-2-carboxamide?
The molecular formula of N-(4-tert-butylphenyl)-3-chloro-1-benzothiophene-2-carboxamide is C19H18ClNOS.
What is the molecular weight of N-(4-tert-butylphenyl)-3-chloro-1-benzothiophene-2-carboxamide?
The molecular weight of N-(4-tert-butylphenyl)-3-chloro-1-benzothiophene-2-carboxamide is 343.07977 g/mol.
Where can I buy N-(4-tert-butylphenyl)-3-chloro-1-benzothiophene-2-carboxamide?
You can request a quote for N-(4-tert-butylphenyl)-3-chloro-1-benzothiophene-2-carboxamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(4-tert-butylphenyl)-3-chloro-1-benzothiophene-2-carboxamide?
Yes, CoreyChem provides custom synthesis services for N-(4-tert-butylphenyl)-3-chloro-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.