TL;DR: (E)-2-cyano-3-(4-methoxyphenyl)-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)prop-2-enamide (CAS 1164546-56-8) is a chemical compound with molecular formula C27H32N4O4S and molecular weight 508.21442 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-2-cyano-3-(4-methoxyphenyl)-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)prop-2-enamide
Also Known As: (E)-2-cyano-3-(4-methoxyphenyl)-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)prop-2-enamide, 2-cyano-3-(4-methoxyphenyl)-N-[2-(1-piperidyl)-5-(1-piperidylsulfonyl)phenyl]prop-2-enamide, 2-cyano-3-(4-methoxyphenyl)-N-[2-(piperidin-1-yl)-5-(piperidine-1-sulfonyl)phenyl]prop-2-enamide
| Molecular Formula | C27H32N4O4S |
| Molecular Weight | 508.21442 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 508.21442 Da |
| Heavy Atoms | 36 |
| Complexity | 917.0 |
| SMILES | COC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCCCC4 |
| InChIKey | HJHXFSXDTWJOQS-RELWKKBWSA-N |
The XLogP value of 4.6 indicates that (E)-2-cyano-3-(4-methoxyphenyl)-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-cyano-3-(4-methoxyphenyl)-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)prop-2-enamide. Following Lipinski's Rule of Five, (E)-2-cyano-3-(4-methoxyphenyl)-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)prop-2-enamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (E)-2-cyano-3-(4-methoxyphenyl)-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)prop-2-enamide is 1164546-56-8.
The molecular formula of (E)-2-cyano-3-(4-methoxyphenyl)-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)prop-2-enamide is C27H32N4O4S.
The molecular weight of (E)-2-cyano-3-(4-methoxyphenyl)-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)prop-2-enamide is 508.21442 g/mol.
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