TL;DR: isopropyl 4,5-dimethyl-2-{[3-(5-methyl-2-furyl)acryloyl]amino}-3-thiophenecarboxylate (CAS 1164479-38-2) is a chemical compound with molecular formula C18H21NO4S and molecular weight 347.11914 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
propan-2-yl 4,5-dimethyl-2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]thiophene-3-carboxylate
Also Known As: isopropyl 4,5-dimethyl-2-{[3-(5-methyl-2-furyl)acryloyl]amino}-3-thiophenecarboxylate, propan-2-yl 4,5-dimethyl-2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]thiophene-3-carboxylate, (E)-isopropyl 4,5-dimethyl-2-(3-(5-methylfuran-2-yl)acrylamido)thiophene-3-carboxylate, methylethyl 2-[(2E)-3-(5-methyl(2-furyl))prop-2-enoylamino]-4,5-dimethylthioph ene-3-carboxylate, propan-2-yl 4,5-dimethyl-2-{[(2E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino}thiophene-3-carboxylate
| Molecular Formula | C18H21NO4S |
| Molecular Weight | 347.11914 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 96.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 347.11914 Da |
| Heavy Atoms | 24 |
| Complexity | 493.0 |
| SMILES | CC1=CC=C(O1)/C=C/C(=O)NC2=C(C(=C(S2)C)C)C(=O)OC(C)C |
| InChIKey | JJNNCBJYWSPDGU-CMDGGOBGSA-N |
The XLogP value of 4.7 indicates that isopropyl 4,5-dimethyl-2-{[3-(5-methyl-2-furyl)acryloyl]amino}-3-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.8 Ų falls within the moderate polarity range, balancing permeability and solubility for isopropyl 4,5-dimethyl-2-{[3-(5-methyl-2-furyl)acryloyl]amino}-3-thiophenecarboxylate. Following Lipinski's Rule of Five, isopropyl 4,5-dimethyl-2-{[3-(5-methyl-2-furyl)acryloyl]amino}-3-thiophenecarboxylate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of isopropyl 4,5-dimethyl-2-{[3-(5-methyl-2-furyl)acryloyl]amino}-3-thiophenecarboxylate is 1164479-38-2.
The molecular formula of isopropyl 4,5-dimethyl-2-{[3-(5-methyl-2-furyl)acryloyl]amino}-3-thiophenecarboxylate is C18H21NO4S.
The molecular weight of isopropyl 4,5-dimethyl-2-{[3-(5-methyl-2-furyl)acryloyl]amino}-3-thiophenecarboxylate is 347.11914 g/mol.
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