TL;DR: 2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide (CAS 524731-76-8) is a chemical compound with molecular formula C18H20N2O3S and molecular weight 344.11948 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Also Known As: 2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide, 2-[(2E)-3-(5-methyl(2-furyl))prop-2-enoylamino]-4,5,6,7,8-pentahydrocyclohepta [2,1-b]thiophene-3-carboxamide, 2-{[(2E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
| Molecular Formula | C18H20N2O3S |
| Molecular Weight | 344.11948 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.11948 Da |
| Heavy Atoms | 24 |
| Complexity | 510.0 |
| SMILES | CC1=CC=C(O1)/C=C/C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)N |
| InChIKey | BPEFITAPUXTXOI-MDZDMXLPSA-N |
The XLogP value of 3.9 indicates that 2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide. Following Lipinski's Rule of Five, 2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide is 524731-76-8.
The molecular formula of 2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide is C18H20N2O3S.
The molecular weight of 2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide is 344.11948 g/mol.
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