TL;DR: 3-(2,2-dichloroethenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2,2-dimethyl-N-(thiophen-2-ylmethyl)cyclopropanecarboxamide (CAS 1005099-38-6) is a chemical compound with molecular formula C17H21Cl2NO3S2 and molecular weight 421.034 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2,2-dichloroethenyl)-N-(1,1-dioxothiolan-3-yl)-2,2-dimethyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide
Also Known As: 3-(2,2-dichloroethenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2,2-dimethyl-N-(thiophen-2-ylmethyl)cyclopropanecarboxamide, 3-(2,2-dichloroethenyl)-N-(1,1-dioxothiolan-3-yl)-2,2-dimethyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide, 3-(2,2-dichlorovinyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2,2-dimethyl-N-(thiophen-2-ylmethyl)cyclopropanecarboxamide
| Molecular Formula | C17H21Cl2NO3S2 |
| Molecular Weight | 421.034 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 91.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 421.034 Da |
| Heavy Atoms | 25 |
| Complexity | 668.0 |
| SMILES | CC1(C(C1C(=O)N(CC2=CC=CS2)C3CCS(=O)(=O)C3)C=C(Cl)Cl)C |
| InChIKey | LFJOVMNQTHWWAF-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that 3-(2,2-dichloroethenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2,2-dimethyl-N-(thiophen-2-ylmethyl)cyclopropanecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2,2-dichloroethenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2,2-dimethyl-N-(thiophen-2-ylmethyl)cyclopropanecarboxamide. Following Lipinski's Rule of Five, 3-(2,2-dichloroethenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2,2-dimethyl-N-(thiophen-2-ylmethyl)cyclopropanecarboxamide has 0 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 3-(2,2-dichloroethenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2,2-dimethyl-N-(thiophen-2-ylmethyl)cyclopropanecarboxamide is 1005099-38-6.
The molecular formula of 3-(2,2-dichloroethenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2,2-dimethyl-N-(thiophen-2-ylmethyl)cyclopropanecarboxamide is C17H21Cl2NO3S2.
The molecular weight of 3-(2,2-dichloroethenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2,2-dimethyl-N-(thiophen-2-ylmethyl)cyclopropanecarboxamide is 421.034 g/mol.
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