5-(4-methoxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)-3-phenylthieno[2,3-d]pyrimidine-2,4-dione

C26H25N3O4S — CID 39313999

IUPAC5-(4-methoxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)-3-phenylthieno[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(-c2csc3c2c(=O)n(-c2ccccc2)c(=O)n3CC(=O)N2CCCCC2)cc1
InChIInChI=1S/C26H25N3O4S/c1-33-20-12-10-18(11-13-20)21-17-34-25-23(21)24(31)29(19-8-4-2-5-9-19)26(32)28(25)16-22(30)27-14-6-3-7-15-27/h2,4-5,8-13,17H,3,6-7,14-16H2,1H3
InChIKeyCJGCULSPBSXBRR-UHFFFAOYSA-N
MW475.57 g/mol
LogP3.90
Rot. Bonds5

About 5-(4-methoxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)-3-phenylthieno[2,3-d]pyrimidine-2,4-dione

5-(4-methoxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)-3-phenylthieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 39313999) has the molecular formula C26H25N3O4S and a molecular weight of 475.57 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)-3-phenylthieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)-3-phenylthieno[2,3-d]pyrimidine-2,4-dione
PubChem CID39313999
Molecular FormulaC26H25N3O4S
Molecular Weight475.57 g/mol
Exact Mass475.16
IUPAC Name5-(4-methoxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)-3-phenylthieno[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(-c2csc3c2c(=O)n(-c2ccccc2)c(=O)n3CC(=O)N2CCCCC2)cc1
InChIInChI=1S/C26H25N3O4S/c1-33-20-12-10-18(11-13-20)21-17-34-25-23(21)24(31)29(19-8-4-2-5-9-19)26(32)28(25)16-22(30)27-14-6-3-7-15-27/h2,4-5,8-13,17H,3,6-7,14-16H2,1H3
InChIKeyCJGCULSPBSXBRR-UHFFFAOYSA-N
XLogP3.90
TPSA73.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(4-methoxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)-3-phenylthieno[2,3-d]pyrimidine-2,4-dione 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

5-(4-methoxyphenyl)-3-methyl-1-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidine-2,4-dione
CID 39336058
1-[2-(azepan-1-yl)-2-oxoethyl]-3-(3-methoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine-2,4-dione
CID 22428414
2-[3-benzyl-5-(4-methoxyphenyl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-N-phenylacetamide
CID 39337235
5-(4-methoxyphenyl)-3-methyl-1-(2-methylprop-2-enyl)thieno[2,3-d]pyrimidine-2,4-dione
CID 39350609
1-benzyl-5-(4-methoxyphenyl)-3-methylthieno[2,3-d]pyrimidine-2,4-dione
CID 39348633
3-(4-methoxyphenyl)-6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-2,4-dione
CID 71956372
2-[2-(4-methoxyphenyl)benzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 17001389
5-(4-methoxyphenyl)-3-methyl-1-prop-2-enylthieno[2,3-d]pyrimidine-2,4-dione
CID 39333147
1-[2-(azepan-1-yl)-2-oxoethyl]-3-phenyl-[1]benzofuro[3,2-d]pyrimidine-2,4-dione
CID 7207914
3-(4-ethylphenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione
CID 22429249
3-(4-methoxyphenyl)-5,6-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylthieno[2,3-d]pyrimidin-4-one
CID 126222348
5-(5-methylfuran-2-yl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one
CID 1233938

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)-3-phenylthieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-(4-methoxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)-3-phenylthieno[2,3-d]pyrimidine-2,4-dione (CID 39313999) is 5-(4-methoxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)-3-phenylthieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(4-methoxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)-3-phenylthieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-(4-methoxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)-3-phenylthieno[2,3-d]pyrimidine-2,4-dione is COc1ccc(-c2csc3c2c(=O)n(-c2ccccc2)c(=O)n3CC(=O)N2CCCCC2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)-3-phenylthieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is CJGCULSPBSXBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4S/c1-33-20-12-10-18(11-13-20)21-17-34-25-23(21)24(31)29(19-8-4-2-5-9-19)26(32)28(25)16-22(30)27-14-6-3-7-15-27/h2,4-5,8-13,17H,3,6-7,14-16H2,1H3.
What are the key properties of 5-(4-methoxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)-3-phenylthieno[2,3-d]pyrimidine-2,4-dione?
5-(4-methoxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)-3-phenylthieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 475.57 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)-3-phenylthieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 39313999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).