TL;DR: 1-[[2-(1H-indol-3-yl)acetyl]amino]-3-(4-methylphenyl)sulfonylurea (CAS 1024572-88-0) is a chemical compound with molecular formula C18H18N4O4S and molecular weight 386.1049 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[[2-(1H-indol-3-yl)acetyl]amino]-3-(4-methylphenyl)sulfonylurea
Also Known As: 1-(2-(INDOL-3-YL)-ACETYL)-4-(4-TOLUENESULPHONYL)SEMICARBAZIDE, 2-(1H-indol-3-yl)-N-{[(4-methylbenzenesulfonyl)carbamoyl]amino}acetamide, 1-[[2-(1H-indol-3-yl)acetyl]amino]-3-(4-methylphenyl)sulfonylurea, 1-(2-(Indol-3-yl)-acetyl)-4-(4-toluenesulfonyl)semicarbazide, 1-[[2-(1H-indol-3-yl)acetyl]amino]-3-(p-tolylsulfonyl)urea
| Molecular Formula | C18H18N4O4S |
| Molecular Weight | 386.1049 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 129.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.1049 Da |
| Heavy Atoms | 27 |
| Complexity | 640.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NNC(=O)CC2=CNC3=CC=CC=C32 |
| InChIKey | KQMRQSUBQMYQGF-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[[2-(1H-indol-3-yl)acetyl]amino]-3-(4-methylphenyl)sulfonylurea. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[[2-(1H-indol-3-yl)acetyl]amino]-3-(4-methylphenyl)sulfonylurea. Following Lipinski's Rule of Five, 1-[[2-(1H-indol-3-yl)acetyl]amino]-3-(4-methylphenyl)sulfonylurea has 4 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 1-[[2-(1H-indol-3-yl)acetyl]amino]-3-(4-methylphenyl)sulfonylurea is 1024572-88-0.
The molecular formula of 1-[[2-(1H-indol-3-yl)acetyl]amino]-3-(4-methylphenyl)sulfonylurea is C18H18N4O4S.
The molecular weight of 1-[[2-(1H-indol-3-yl)acetyl]amino]-3-(4-methylphenyl)sulfonylurea is 386.1049 g/mol.
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