TL;DR: (2-phenyl-1,3-thiazol-4-yl)methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate (CAS 1012695-17-8) is a chemical compound with molecular formula C20H18N2O4S2 and molecular weight 414.0708 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-phenyl-1,3-thiazol-4-yl)methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
Also Known As: (2-phenyl-1,3-thiazol-4-yl)methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate, (2-phenyl-1,3-thiazol-4-yl)methyl 2-(2-phenylethenesulfonamido)acetate
| Molecular Formula | C20H18N2O4S2 |
| Molecular Weight | 414.0708 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 122.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 414.0708 Da |
| Heavy Atoms | 28 |
| Complexity | 621.0 |
| SMILES | C1=CC=C(C=C1)/C=C/S(=O)(=O)NCC(=O)OCC2=CSC(=N2)C3=CC=CC=C3 |
| InChIKey | BSPFZEWTXCUULZ-VAWYXSNFSA-N |
The XLogP value of 3.5 indicates that (2-phenyl-1,3-thiazol-4-yl)methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-phenyl-1,3-thiazol-4-yl)methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate. Following Lipinski's Rule of Five, (2-phenyl-1,3-thiazol-4-yl)methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (2-phenyl-1,3-thiazol-4-yl)methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate is 1012695-17-8.
The molecular formula of (2-phenyl-1,3-thiazol-4-yl)methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate is C20H18N2O4S2.
The molecular weight of (2-phenyl-1,3-thiazol-4-yl)methyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate is 414.0708 g/mol.
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