TL;DR: N-(2-Indol-3-ylethyl)-3-(3-nitro-4-(2-pyridylthio)phenyl)prop-2-enamide (CAS 1025150-63-3) is a chemical compound with molecular formula C24H20N4O3S and molecular weight 444.1256 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-(1H-indol-3-yl)ethyl]-3-(3-nitro-4-pyridin-2-ylsulfanylphenyl)prop-2-enamide
Also Known As: N-(2-INDOL-3-YLETHYL)-3-(3-NITRO-4-(2-PYRIDYLTHIO)PHENYL)PROP-2-ENAMIDE, N-[2-(1H-indol-3-yl)ethyl]-3-(3-nitro-4-pyridin-2-ylsulfanyl-phenyl)prop-2-enamide, N-[2-(1H-indol-3-yl)ethyl]-3-(3-nitro-4-pyridin-2-ylsulfanylphenyl)prop-2-enamide, N-[2-(1H-indol-3-yl)ethyl]-3-[3-nitro-4-(2-pyridylsulfanyl)phenyl]prop-2-enamide, C24H20N4O3S
| Molecular Formula | C24H20N4O3S |
| Molecular Weight | 444.1256 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 129.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 444.1256 Da |
| Heavy Atoms | 32 |
| Complexity | 670.0 |
| SMILES | C1=CC=C2C(=C1)C(=CN2)CCNC(=O)C=CC3=CC(=C(C=C3)SC4=CC=CC=N4)[N+](=O)[O-] |
| InChIKey | PBIZUFPQMPQVSN-UHFFFAOYSA-N |
The XLogP value of 4.9 indicates that N-(2-Indol-3-ylethyl)-3-(3-nitro-4-(2-pyridylthio)phenyl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-Indol-3-ylethyl)-3-(3-nitro-4-(2-pyridylthio)phenyl)prop-2-enamide. Following Lipinski's Rule of Five, N-(2-Indol-3-ylethyl)-3-(3-nitro-4-(2-pyridylthio)phenyl)prop-2-enamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-(2-Indol-3-ylethyl)-3-(3-nitro-4-(2-pyridylthio)phenyl)prop-2-enamide is 1025150-63-3.
The molecular formula of N-(2-Indol-3-ylethyl)-3-(3-nitro-4-(2-pyridylthio)phenyl)prop-2-enamide is C24H20N4O3S.
The molecular weight of N-(2-Indol-3-ylethyl)-3-(3-nitro-4-(2-pyridylthio)phenyl)prop-2-enamide is 444.1256 g/mol.
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