methyl 2-[5-[2-(4-fluorophenyl)acetyl]-2-phenylthiophen-3-yl]acetate

C21H17FO3S — CID 118222180

IUPACmethyl 2-[5-[2-(4-fluorophenyl)acetyl]-2-phenylthiophen-3-yl]acetate
SMILESCOC(=O)Cc1cc(C(=O)Cc2ccc(F)cc2)sc1-c1ccccc1
InChIInChI=1S/C21H17FO3S/c1-25-20(24)13-16-12-19(26-21(16)15-5-3-2-4-6-15)18(23)11-14-7-9-17(22)10-8-14/h2-10,12H,11,13H2,1H3
InChIKeyJPWANXBCZDZKIH-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.70
Rot. Bonds6

About methyl 2-[5-[2-(4-fluorophenyl)acetyl]-2-phenylthiophen-3-yl]acetate

methyl 2-[5-[2-(4-fluorophenyl)acetyl]-2-phenylthiophen-3-yl]acetate (PubChem CID 118222180) has the molecular formula C21H17FO3S and a molecular weight of 368.43 g/mol. Its IUPAC name is methyl 2-[5-[2-(4-fluorophenyl)acetyl]-2-phenylthiophen-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[2-(4-fluorophenyl)acetyl]-2-phenylthiophen-3-yl]acetate
PubChem CID118222180
Molecular FormulaC21H17FO3S
Molecular Weight368.43 g/mol
Exact Mass368.09
IUPAC Namemethyl 2-[5-[2-(4-fluorophenyl)acetyl]-2-phenylthiophen-3-yl]acetate
SMILESCOC(=O)Cc1cc(C(=O)Cc2ccc(F)cc2)sc1-c1ccccc1
InChIInChI=1S/C21H17FO3S/c1-25-20(24)13-16-12-19(26-21(16)15-5-3-2-4-6-15)18(23)11-14-7-9-17(22)10-8-14/h2-10,12H,11,13H2,1H3
InChIKeyJPWANXBCZDZKIH-UHFFFAOYSA-N
XLogP4.70
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[5-[2-(4-fluorophenyl)acetyl]-2-phenylthiophen-3-yl]acetate 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 methyl 2-[5-[2-(4-fluorophenyl)acetyl]-2-phenylthiophen-3-yl]acetate?
The IUPAC name of methyl 2-[5-[2-(4-fluorophenyl)acetyl]-2-phenylthiophen-3-yl]acetate (CID 118222180) is methyl 2-[5-[2-(4-fluorophenyl)acetyl]-2-phenylthiophen-3-yl]acetate.
What is the SMILES notation for methyl 2-[5-[2-(4-fluorophenyl)acetyl]-2-phenylthiophen-3-yl]acetate?
The canonical SMILES for methyl 2-[5-[2-(4-fluorophenyl)acetyl]-2-phenylthiophen-3-yl]acetate is COC(=O)Cc1cc(C(=O)Cc2ccc(F)cc2)sc1-c1ccccc1.
What is the InChIKey of methyl 2-[5-[2-(4-fluorophenyl)acetyl]-2-phenylthiophen-3-yl]acetate?
The InChIKey is JPWANXBCZDZKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FO3S/c1-25-20(24)13-16-12-19(26-21(16)15-5-3-2-4-6-15)18(23)11-14-7-9-17(22)10-8-14/h2-10,12H,11,13H2,1H3.
What are the key properties of methyl 2-[5-[2-(4-fluorophenyl)acetyl]-2-phenylthiophen-3-yl]acetate?
methyl 2-[5-[2-(4-fluorophenyl)acetyl]-2-phenylthiophen-3-yl]acetate has a molecular weight of 368.43 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[2-(4-fluorophenyl)acetyl]-2-phenylthiophen-3-yl]acetate is sourced from PubChem (CID 118222180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).