1-(4-ethoxyphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione

C17H17N3O3S — CID 2950608

IUPAC1-(4-ethoxyphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione
SMILESCCOc1ccc(N2C(=O)CC(Sc3nccc(C)n3)C2=O)cc1
InChIInChI=1S/C17H17N3O3S/c1-3-23-13-6-4-12(5-7-13)20-15(21)10-14(16(20)22)24-17-18-9-8-11(2)19-17/h4-9,14H,3,10H2,1-2H3
InChIKeyGIQXKRWHAUMRLO-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.61
Rot. Bonds5

About 1-(4-ethoxyphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione

1-(4-ethoxyphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione (PubChem CID 2950608) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione
PubChem CID2950608
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name1-(4-ethoxyphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione
SMILESCCOc1ccc(N2C(=O)CC(Sc3nccc(C)n3)C2=O)cc1
InChIInChI=1S/C17H17N3O3S/c1-3-23-13-6-4-12(5-7-13)20-15(21)10-14(16(20)22)24-17-18-9-8-11(2)19-17/h4-9,14H,3,10H2,1-2H3
InChIKeyGIQXKRWHAUMRLO-UHFFFAOYSA-N
XLogP2.61
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(4,6-Dimethylpyrimidin-2-yl)sulfanyl-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 2918713
1-(2-Ethoxyphenyl)-3-[(4-methylpyrimidin-2-yl)sulfanyl]pyrrolidine-2,5-dione
CID 2927186
1-(4-Ethoxyphenyl)-3-(pyrimidin-2-ylsulfanyl)pyrrolidine-2,5-dione
CID 2905689
3-[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]-1-(2-methoxyphenyl)pyrrolidine-2,5-dione
CID 3148623
3-[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 3952446
2-((4,6-Dimethylpyrimidin-2-yl)thio)-N-(4-ethoxyphenyl)acetamide
CID 769987
1-(4-Methoxyphenyl)-3-[(4-methyl-2-pyrimidinyl)sulfanyl]-2,5-pyrrolidinedione
CID 2885975
2-[2-(4-methoxyphenyl)imino-4-oxo-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 5215882
N-(4-ethoxyphenyl)-2-[(1-methyl-1H-imidazol-2-yl)thio]propanamide
CID 2996580
N-(4-ethoxyphenyl)-4-methyl-2-(methylthio)pyrimidine-5-carboxamide
CID 20913550
1-(2,4-Dimethoxyphenyl)-3-[(4-methylpyrimidin-2-yl)sulfanyl]pyrrolidine-2,5-dione
CID 2918451
1-(4-Methoxyphenyl)-3-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]pyrrolidine-2,5-dione
CID 665920

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione?
The IUPAC name of 1-(4-ethoxyphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione (CID 2950608) is 1-(4-ethoxyphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione is CCOc1ccc(N2C(=O)CC(Sc3nccc(C)n3)C2=O)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione?
The InChIKey is GIQXKRWHAUMRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-3-23-13-6-4-12(5-7-13)20-15(21)10-14(16(20)22)24-17-18-9-8-11(2)19-17/h4-9,14H,3,10H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione?
1-(4-ethoxyphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione has a molecular weight of 343.41 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 2950608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).