TL;DR: (E)-3-(benzo[d][1,3]dioxol-5-yl)-N-(2-(2-(3-methoxyphenyl)thiazol-4-yl)ethyl)acrylamide (CAS 898921-74-9) is a chemical compound with molecular formula C22H20N2O4S and molecular weight 408.11438 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(1,3-benzodioxol-5-yl)-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]prop-2-enamide
Also Known As: (E)-3-(benzo[d][1,3]dioxol-5-yl)-N-(2-(2-(3-methoxyphenyl)thiazol-4-yl)ethyl)acrylamide, (2E)-3-(1,3-benzodioxol-5-yl)-N-{2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl}prop-2-enamide, (E)-3-(1,3-benzodioxol-5-yl)-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]prop-2-enamide
| Molecular Formula | C22H20N2O4S |
| Molecular Weight | 408.11438 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 97.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 408.11438 Da |
| Heavy Atoms | 29 |
| Complexity | 575.0 |
| SMILES | COC1=CC=CC(=C1)C2=NC(=CS2)CCNC(=O)/C=C/C3=CC4=C(C=C3)OCO4 |
| InChIKey | MOVFEARLEQPASB-SOFGYWHQSA-N |
The XLogP value of 4.1 indicates that (E)-3-(benzo[d][1,3]dioxol-5-yl)-N-(2-(2-(3-methoxyphenyl)thiazol-4-yl)ethyl)acrylamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(benzo[d][1,3]dioxol-5-yl)-N-(2-(2-(3-methoxyphenyl)thiazol-4-yl)ethyl)acrylamide. Following Lipinski's Rule of Five, (E)-3-(benzo[d][1,3]dioxol-5-yl)-N-(2-(2-(3-methoxyphenyl)thiazol-4-yl)ethyl)acrylamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (E)-3-(benzo[d][1,3]dioxol-5-yl)-N-(2-(2-(3-methoxyphenyl)thiazol-4-yl)ethyl)acrylamide is 898921-74-9.
The molecular formula of (E)-3-(benzo[d][1,3]dioxol-5-yl)-N-(2-(2-(3-methoxyphenyl)thiazol-4-yl)ethyl)acrylamide is C22H20N2O4S.
The molecular weight of (E)-3-(benzo[d][1,3]dioxol-5-yl)-N-(2-(2-(3-methoxyphenyl)thiazol-4-yl)ethyl)acrylamide is 408.11438 g/mol.
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