3-(2,5-dimethylphenoxy)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]propanamide

C19H21N3O3S — CID 137294358

IUPAC3-(2,5-dimethylphenoxy)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]propanamide
SMILESCc1ccc(C)c(OCCC(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)c1
InChIInChI=1S/C19H21N3O3S/c1-12-4-5-13(2)15(10-12)25-8-6-17(23)22(3)11-16-20-14-7-9-26-18(14)19(24)21-16/h4-5,7,9-10H,6,8,11H2,1-3H3,(H,20,21,24)
InChIKeyOCIKVYNKUWGBHL-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.03
Rot. Bonds6

About 3-(2,5-dimethylphenoxy)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]propanamide

3-(2,5-dimethylphenoxy)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]propanamide (PubChem CID 137294358) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 3-(2,5-dimethylphenoxy)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dimethylphenoxy)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]propanamide
PubChem CID137294358
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name3-(2,5-dimethylphenoxy)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]propanamide
SMILESCc1ccc(C)c(OCCC(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)c1
InChIInChI=1S/C19H21N3O3S/c1-12-4-5-13(2)15(10-12)25-8-6-17(23)22(3)11-16-20-14-7-9-26-18(14)19(24)21-16/h4-5,7,9-10H,6,8,11H2,1-3H3,(H,20,21,24)
InChIKeyOCIKVYNKUWGBHL-UHFFFAOYSA-N
XLogP3.03
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2,5-dimethylphenoxy)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]propanamide 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 3-(2,5-dimethylphenoxy)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]propanamide?
The IUPAC name of 3-(2,5-dimethylphenoxy)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]propanamide (CID 137294358) is 3-(2,5-dimethylphenoxy)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(2,5-dimethylphenoxy)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]propanamide?
The canonical SMILES for 3-(2,5-dimethylphenoxy)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]propanamide is Cc1ccc(C)c(OCCC(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)c1.
What is the InChIKey of 3-(2,5-dimethylphenoxy)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]propanamide?
The InChIKey is OCIKVYNKUWGBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-12-4-5-13(2)15(10-12)25-8-6-17(23)22(3)11-16-20-14-7-9-26-18(14)19(24)21-16/h4-5,7,9-10H,6,8,11H2,1-3H3,(H,20,21,24).
What are the key properties of 3-(2,5-dimethylphenoxy)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]propanamide?
3-(2,5-dimethylphenoxy)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]propanamide has a molecular weight of 371.46 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenoxy)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]propanamide is sourced from PubChem (CID 137294358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).