2-(2-methoxyphenyl)-3-(4-methoxythiophen-2-yl)-3-oxopropanenitrile

C15H13NO3S — CID 81122331

IUPAC2-(2-methoxyphenyl)-3-(4-methoxythiophen-2-yl)-3-oxopropanenitrile
SMILESCOc1csc(C(=O)C(C#N)c2ccccc2OC)c1
InChIInChI=1S/C15H13NO3S/c1-18-10-7-14(20-9-10)15(17)12(8-16)11-5-3-4-6-13(11)19-2/h3-7,9,12H,1-2H3
InChIKeyBWJWPYJLQYOUOZ-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.26
Rot. Bonds5

About 2-(2-methoxyphenyl)-3-(4-methoxythiophen-2-yl)-3-oxopropanenitrile

2-(2-methoxyphenyl)-3-(4-methoxythiophen-2-yl)-3-oxopropanenitrile (PubChem CID 81122331) has the molecular formula C15H13NO3S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-3-(4-methoxythiophen-2-yl)-3-oxopropanenitrile.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-3-(4-methoxythiophen-2-yl)-3-oxopropanenitrile
PubChem CID81122331
Molecular FormulaC15H13NO3S
Molecular Weight287.34 g/mol
Exact Mass287.06
IUPAC Name2-(2-methoxyphenyl)-3-(4-methoxythiophen-2-yl)-3-oxopropanenitrile
SMILESCOc1csc(C(=O)C(C#N)c2ccccc2OC)c1
InChIInChI=1S/C15H13NO3S/c1-18-10-7-14(20-9-10)15(17)12(8-16)11-5-3-4-6-13(11)19-2/h3-7,9,12H,1-2H3
InChIKeyBWJWPYJLQYOUOZ-UHFFFAOYSA-N
XLogP3.26
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-methoxyphenyl)-3-(4-methoxythiophen-2-yl)-3-oxopropanenitrile with MolForge

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

Launch Full Analysis

Related Compounds

3-(4-methoxythiophen-2-yl)-3-oxo-2-pyridin-2-ylpropanenitrile
CID 79478763
3-(5-bromothiophen-3-yl)-2-(2-methoxyphenyl)-3-oxopropanenitrile
CID 107962458
N-[cyano(phenyl)methyl]-4-methoxythiophene-2-carboxamide
CID 79464717
2-cyano-2-(2-methoxyphenyl)acetamide
CID 16762344
phenyl 2-cyano-2-(2-methoxyphenyl)acetate
CID 68736409
(2R)-2-(2-methoxyphenyl)-3-oxopentanenitrile
CID 93260273
ethyl 2-cyano-2-(2-methoxyphenyl)acetate
CID 13432076
2-(2-methoxyphenyl)-3-oxo-4-phenylbutanenitrile
CID 174608687
2-(2-methoxyphenyl)-3-oxo-3-(2,2,3,3-tetramethylcyclopropyl)propanenitrile
CID 66477278
3-(2,5-dimethoxyphenyl)-3-oxo-2-phenylpropanenitrile
CID 60975493
2-(2-chlorophenyl)-3-(2-methoxy-5-methylphenyl)-3-oxopropanenitrile
CID 62503872
2-(2,4-dimethoxyphenyl)-3-oxobutanenitrile
CID 18406989

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-3-(4-methoxythiophen-2-yl)-3-oxopropanenitrile?
The IUPAC name of 2-(2-methoxyphenyl)-3-(4-methoxythiophen-2-yl)-3-oxopropanenitrile (CID 81122331) is 2-(2-methoxyphenyl)-3-(4-methoxythiophen-2-yl)-3-oxopropanenitrile.
What is the SMILES notation for 2-(2-methoxyphenyl)-3-(4-methoxythiophen-2-yl)-3-oxopropanenitrile?
The canonical SMILES for 2-(2-methoxyphenyl)-3-(4-methoxythiophen-2-yl)-3-oxopropanenitrile is COc1csc(C(=O)C(C#N)c2ccccc2OC)c1.
What is the InChIKey of 2-(2-methoxyphenyl)-3-(4-methoxythiophen-2-yl)-3-oxopropanenitrile?
The InChIKey is BWJWPYJLQYOUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3S/c1-18-10-7-14(20-9-10)15(17)12(8-16)11-5-3-4-6-13(11)19-2/h3-7,9,12H,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)-3-(4-methoxythiophen-2-yl)-3-oxopropanenitrile?
2-(2-methoxyphenyl)-3-(4-methoxythiophen-2-yl)-3-oxopropanenitrile has a molecular weight of 287.34 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-3-(4-methoxythiophen-2-yl)-3-oxopropanenitrile is sourced from PubChem (CID 81122331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).