TL;DR: N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}-1-benzofuran-2-carboxamide (CAS 442651-58-3) is a chemical compound with molecular formula C21H18N4O4S and molecular weight 422.1049 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide
Also Known As: BAS 04199668, AB00304847-10, AE-641/40789743, N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}-1-benzofuran-2-carboxamide, benzo[d]furan-2-yl-N-(4-{[(2,6-dimethylpyrimidin-4-yl)amino]sulfonyl}phenyl)ca rboxamide
| Molecular Formula | C21H18N4O4S |
| Molecular Weight | 422.1049 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 123.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 422.1049 Da |
| Heavy Atoms | 30 |
| Complexity | 704.0 |
| SMILES | CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4O3 |
| InChIKey | NCDYDFMITDCUDD-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}-1-benzofuran-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}-1-benzofuran-2-carboxamide. Following Lipinski's Rule of Five, N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}-1-benzofuran-2-carboxamide has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}-1-benzofuran-2-carboxamide is 442651-58-3.
The molecular formula of N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}-1-benzofuran-2-carboxamide is C21H18N4O4S.
The molecular weight of N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}-1-benzofuran-2-carboxamide is 422.1049 g/mol.
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