TL;DR: (2E)-2-cyano-3-{3-[3-(diethylsulfamoyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-N-(3-methoxypropyl)prop-2-enamide (CAS 1008905-13-2) is a chemical compound with molecular formula C27H31N5O4S and molecular weight 521.20966 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-2-cyano-3-[3-[3-(diethylsulfamoyl)phenyl]-1-phenylpyrazol-4-yl]-N-(3-methoxypropyl)prop-2-enamide
Also Known As: (2E)-2-cyano-3-{3-[3-(diethylsulfamoyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-N-(3-methoxypropyl)prop-2-enamide, (E)-2-cyano-3-(3-(3-(N,N-diethylsulfamoyl)phenyl)-1-phenyl-1H-pyrazol-4-yl)-N-(3-methoxypropyl)acrylamide, (E)-2-cyano-3-[3-[3-(diethylsulfamoyl)phenyl]-1-phenylpyrazol-4-yl]-N-(3-methoxypropyl)prop-2-enamide, 2-cyano-3-[3-[3-(diethylsulfamoyl)phenyl]-1-phenyl-pyrazol-4-yl]-N-(3-methoxypropyl)prop-2-enamide
| Molecular Formula | C27H31N5O4S |
| Molecular Weight | 521.20966 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 126.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 521.20966 Da |
| Heavy Atoms | 37 |
| Complexity | 915.0 |
| SMILES | CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)NCCCOC)C3=CC=CC=C3 |
| InChIKey | APGCYAKHQHNMBD-OQKWZONESA-N |
The XLogP value of 3.3 indicates that (2E)-2-cyano-3-{3-[3-(diethylsulfamoyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-N-(3-methoxypropyl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-cyano-3-{3-[3-(diethylsulfamoyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-N-(3-methoxypropyl)prop-2-enamide. Following Lipinski's Rule of Five, (2E)-2-cyano-3-{3-[3-(diethylsulfamoyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-N-(3-methoxypropyl)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 (2E)-2-cyano-3-{3-[3-(diethylsulfamoyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-N-(3-methoxypropyl)prop-2-enamide is 1008905-13-2.
The molecular formula of (2E)-2-cyano-3-{3-[3-(diethylsulfamoyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-N-(3-methoxypropyl)prop-2-enamide is C27H31N5O4S.
The molecular weight of (2E)-2-cyano-3-{3-[3-(diethylsulfamoyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-N-(3-methoxypropyl)prop-2-enamide is 521.20966 g/mol.
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