TL;DR: Methyl 3-((phenylcyclopentyl)carbonylamino)thiophene-2-carboxylate (CAS 1024523-08-7) is a chemical compound with molecular formula C18H19NO3S and molecular weight 329.10855 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-[(1-phenylcyclopentanecarbonyl)amino]thiophene-2-carboxylate
Also Known As: METHYL 3-((PHENYLCYCLOPENTYL)CARBONYLAMINO)THIOPHENE-2-CARBOXYLATE, methyl 3-(1-phenylcyclopentaneamido)thiophene-2-carboxylate, Methyl 3-[(1-phenylcyclopentanecarbonyl)amino]thiophene-2-carboxylate, Methyl 3-(1-phenylcyclopentane-1-carboxamido)thiophene-2-carboxylate
| Molecular Formula | C18H19NO3S |
| Molecular Weight | 329.10855 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.10855 Da |
| Heavy Atoms | 23 |
| Complexity | 442.0 |
| SMILES | COC(=O)C1=C(C=CS1)NC(=O)C2(CCCC2)C3=CC=CC=C3 |
| InChIKey | KRJABKDPFYZNLF-UHFFFAOYSA-N |
The XLogP value of 4.5 indicates that Methyl 3-((phenylcyclopentyl)carbonylamino)thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-((phenylcyclopentyl)carbonylamino)thiophene-2-carboxylate. Following Lipinski's Rule of Five, Methyl 3-((phenylcyclopentyl)carbonylamino)thiophene-2-carboxylate has 1 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 Methyl 3-((phenylcyclopentyl)carbonylamino)thiophene-2-carboxylate is 1024523-08-7.
The molecular formula of Methyl 3-((phenylcyclopentyl)carbonylamino)thiophene-2-carboxylate is C18H19NO3S.
The molecular weight of Methyl 3-((phenylcyclopentyl)carbonylamino)thiophene-2-carboxylate is 329.10855 g/mol.
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