(2-oxo-2-thiophen-2-ylethyl) 1-(2-fluorophenyl)cyclopentane-1-carboxylate

C18H17FO3S — CID 2385603

IUPAC(2-oxo-2-thiophen-2-ylethyl) 1-(2-fluorophenyl)cyclopentane-1-carboxylate
SMILESO=C(COC(=O)C1(c2ccccc2F)CCCC1)c1cccs1
InChIInChI=1S/C18H17FO3S/c19-14-7-2-1-6-13(14)18(9-3-4-10-18)17(21)22-12-15(20)16-8-5-11-23-16/h1-2,5-8,11H,3-4,9-10,12H2
InChIKeyDZGLPSGIDPORJV-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.13
Rot. Bonds5

About (2-oxo-2-thiophen-2-ylethyl) 1-(2-fluorophenyl)cyclopentane-1-carboxylate

(2-oxo-2-thiophen-2-ylethyl) 1-(2-fluorophenyl)cyclopentane-1-carboxylate (PubChem CID 2385603) has the molecular formula C18H17FO3S and a molecular weight of 332.40 g/mol. Its IUPAC name is (2-oxo-2-thiophen-2-ylethyl) 1-(2-fluorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name(2-oxo-2-thiophen-2-ylethyl) 1-(2-fluorophenyl)cyclopentane-1-carboxylate
PubChem CID2385603
Molecular FormulaC18H17FO3S
Molecular Weight332.40 g/mol
Exact Mass332.09
IUPAC Name(2-oxo-2-thiophen-2-ylethyl) 1-(2-fluorophenyl)cyclopentane-1-carboxylate
SMILESO=C(COC(=O)C1(c2ccccc2F)CCCC1)c1cccs1
InChIInChI=1S/C18H17FO3S/c19-14-7-2-1-6-13(14)18(9-3-4-10-18)17(21)22-12-15(20)16-8-5-11-23-16/h1-2,5-8,11H,3-4,9-10,12H2
InChIKeyDZGLPSGIDPORJV-UHFFFAOYSA-N
XLogP4.13
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-oxo-2-thiophen-2-ylethyl) 1-(2-fluorophenyl)cyclopentane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-thiophen-2-ylethyl) 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of (2-oxo-2-thiophen-2-ylethyl) 1-(2-fluorophenyl)cyclopentane-1-carboxylate (CID 2385603) is (2-oxo-2-thiophen-2-ylethyl) 1-(2-fluorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for (2-oxo-2-thiophen-2-ylethyl) 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for (2-oxo-2-thiophen-2-ylethyl) 1-(2-fluorophenyl)cyclopentane-1-carboxylate is O=C(COC(=O)C1(c2ccccc2F)CCCC1)c1cccs1.
What is the InChIKey of (2-oxo-2-thiophen-2-ylethyl) 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
The InChIKey is DZGLPSGIDPORJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FO3S/c19-14-7-2-1-6-13(14)18(9-3-4-10-18)17(21)22-12-15(20)16-8-5-11-23-16/h1-2,5-8,11H,3-4,9-10,12H2.
What are the key properties of (2-oxo-2-thiophen-2-ylethyl) 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
(2-oxo-2-thiophen-2-ylethyl) 1-(2-fluorophenyl)cyclopentane-1-carboxylate has a molecular weight of 332.40 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-thiophen-2-ylethyl) 1-(2-fluorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 2385603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).