3-(3-Acetylanilino)-2-(p-tolylsulfonyl)prop-2-enenitrile
TL;DR: 3-(3-Acetylanilino)-2-(p-tolylsulfonyl)prop-2-enenitrile (CAS 1025668-88-5) is a chemical compound with molecular formula C18H16N2O3S and molecular weight 340.08817 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3-acetylanilino)-2-(4-methylphenyl)sulfonylprop-2-enenitrile
Also Known As: 3-(3-acetylanilino)-2-(p-tolylsulfonyl)prop-2-enenitrile, 3-((3-ACETYLPHENYL)AMINO)-2-((4-METHYLPHENYL)SULFONYL)PROP-2-ENENITRILE, 3-(3-acetylanilino)-2-(4-methylphenyl)sulfonylprop-2-enenitrile, (Z)-3-(3-acetylanilino)-2-[(4-methylphenyl)sulfonyl]-2-propenenitrile, 3-[(3-acetylphenyl)amino]-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile
Technical Specifications
| Molecular Formula | C18H16N2O3S |
| Molecular Weight | 340.08817 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 95.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 340.08817 Da |
| Heavy Atoms | 24 |
| Complexity | 631.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C(=CNC2=CC=CC(=C2)C(=O)C)C#N |
| InChIKey | YYAZYRLZGVKKLC-UHFFFAOYSA-N |
Chemical Property Profile of 3-(3-Acetylanilino)-2-(p-tolylsulfonyl)prop-2-enenitrile
Property Insights of 3-(3-Acetylanilino)-2-(p-tolylsulfonyl)prop-2-enenitrile
The XLogP value of 3.4 indicates that 3-(3-Acetylanilino)-2-(p-tolylsulfonyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Acetylanilino)-2-(p-tolylsulfonyl)prop-2-enenitrile. Following Lipinski's Rule of Five, 3-(3-Acetylanilino)-2-(p-tolylsulfonyl)prop-2-enenitrile has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(3-Acetylanilino)-2-(p-tolylsulfonyl)prop-2-enenitrile?
The CAS number of 3-(3-Acetylanilino)-2-(p-tolylsulfonyl)prop-2-enenitrile is 1025668-88-5.
What is the molecular formula of 3-(3-Acetylanilino)-2-(p-tolylsulfonyl)prop-2-enenitrile?
The molecular formula of 3-(3-Acetylanilino)-2-(p-tolylsulfonyl)prop-2-enenitrile is C18H16N2O3S.
What is the molecular weight of 3-(3-Acetylanilino)-2-(p-tolylsulfonyl)prop-2-enenitrile?
The molecular weight of 3-(3-Acetylanilino)-2-(p-tolylsulfonyl)prop-2-enenitrile is 340.08817 g/mol.
Where can I buy 3-(3-Acetylanilino)-2-(p-tolylsulfonyl)prop-2-enenitrile?
You can request a quote for 3-(3-Acetylanilino)-2-(p-tolylsulfonyl)prop-2-enenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(3-Acetylanilino)-2-(p-tolylsulfonyl)prop-2-enenitrile?
Yes, CoreyChem provides custom synthesis services for 3-(3-Acetylanilino)-2-(p-tolylsulfonyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.