TL;DR: 2-(4-Tert-butylphenyl)sulfonyl-3-[(6-methoxy-3-pyridyl)amino]prop-2-enenitrile (CAS 1024729-09-6) is a chemical compound with molecular formula C19H21N3O3S and molecular weight 371.13037 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-tert-butylphenyl)sulfonyl-3-[(6-methoxy-3-pyridinyl)amino]prop-2-enenitrile
Also Known As: 2-((4-(TERT-BUTYL)PHENYL)SULFONYL)-3-((6-METHOXY(3-PYRIDYL))AMINO)PROP-2-ENENITRILE, 2-(4-tert-butylphenyl)sulfonyl-3-[(6-methoxy-3-pyridyl)amino]prop-2-enenitrile, 2-(4-tert-butylphenyl)sulfonyl-3-[(6-methoxypyridin-3-yl)amino]prop-2-enenitrile, 3-[(6-methoxypyridin-3-yl)amino]-2-(4-tert-butylphenyl)sulfonyl-prop-2-enenitrile
| Molecular Formula | C19H21N3O3S |
| Molecular Weight | 371.13037 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 371.13037 Da |
| Heavy Atoms | 26 |
| Complexity | 644.0 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)C(=CNC2=CN=C(C=C2)OC)C#N |
| InChIKey | AAABVZKENIXXPJ-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that 2-(4-Tert-butylphenyl)sulfonyl-3-[(6-methoxy-3-pyridyl)amino]prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Tert-butylphenyl)sulfonyl-3-[(6-methoxy-3-pyridyl)amino]prop-2-enenitrile. Following Lipinski's Rule of Five, 2-(4-Tert-butylphenyl)sulfonyl-3-[(6-methoxy-3-pyridyl)amino]prop-2-enenitrile has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(4-Tert-butylphenyl)sulfonyl-3-[(6-methoxy-3-pyridyl)amino]prop-2-enenitrile is 1024729-09-6.
The molecular formula of 2-(4-Tert-butylphenyl)sulfonyl-3-[(6-methoxy-3-pyridyl)amino]prop-2-enenitrile is C19H21N3O3S.
The molecular weight of 2-(4-Tert-butylphenyl)sulfonyl-3-[(6-methoxy-3-pyridyl)amino]prop-2-enenitrile is 371.13037 g/mol.
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