TL;DR: (E)-3-phenyl-N-[2,2,2-trichloro-1-[(4-sulfamoylphenyl)carbamothioylamino]ethyl]prop-2-enamide (CAS 1322234-31-0) is a chemical compound with molecular formula C18H17Cl3N4O3S2 and molecular weight 505.98077 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-phenyl-N-[2,2,2-trichloro-1-[(4-sulfamoylphenyl)carbamothioylamino]ethyl]prop-2-enamide
Also Known As: (E)-3-phenyl-N-[2,2,2-trichloro-1-[(4-sulfamoylphenyl)carbamothioylamino]ethyl]prop-2-enamide, (2E)-3-phenyl-N-(2,2,2-trichloro-1-{[(4-sulfamoylphenyl)carbamothioyl]amino}ethyl)prop-2-enamide, (2E)-3-phenyl-N-[2,2,2-trichloro-1-({[(4-sulfamoylphenyl)amino]thioxomethyl}am ino)ethyl]prop-2-enamide, N-{1-[({[4-(aminosulfonyl)phenyl]amino}carbonothioyl)amino]-2,2,2-trichloroethyl}-3-phenylacrylamide
| Molecular Formula | C18H17Cl3N4O3S2 |
| Molecular Weight | 505.98077 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 154.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 505.98077 Da |
| Heavy Atoms | 30 |
| Complexity | 724.0 |
| SMILES | C1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N |
| InChIKey | BXZSOEMLZDCVBE-IZZDOVSWSA-N |
The XLogP value of 3.5 indicates that (E)-3-phenyl-N-[2,2,2-trichloro-1-[(4-sulfamoylphenyl)carbamothioylamino]ethyl]prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 154.0 Ų indicates high polarity, suggesting (E)-3-phenyl-N-[2,2,2-trichloro-1-[(4-sulfamoylphenyl)carbamothioylamino]ethyl]prop-2-enamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (E)-3-phenyl-N-[2,2,2-trichloro-1-[(4-sulfamoylphenyl)carbamothioylamino]ethyl]prop-2-enamide has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (E)-3-phenyl-N-[2,2,2-trichloro-1-[(4-sulfamoylphenyl)carbamothioylamino]ethyl]prop-2-enamide is 1322234-31-0.
The molecular formula of (E)-3-phenyl-N-[2,2,2-trichloro-1-[(4-sulfamoylphenyl)carbamothioylamino]ethyl]prop-2-enamide is C18H17Cl3N4O3S2.
The molecular weight of (E)-3-phenyl-N-[2,2,2-trichloro-1-[(4-sulfamoylphenyl)carbamothioylamino]ethyl]prop-2-enamide is 505.98077 g/mol.
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