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

C17H17N3O3S — CID 2927186

IUPAC1-(2-ethoxyphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione
SMILESCCOc1ccccc1N1C(=O)CC(Sc2nccc(C)n2)C1=O
InChIInChI=1S/C17H17N3O3S/c1-3-23-13-7-5-4-6-12(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
InChIKeyLXDALZXLDAYNOU-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.61
Rot. Bonds5

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

1-(2-ethoxyphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione (PubChem CID 2927186) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione
PubChem CID2927186
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name1-(2-ethoxyphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione
SMILESCCOc1ccccc1N1C(=O)CC(Sc2nccc(C)n2)C1=O
InChIInChI=1S/C17H17N3O3S/c1-3-23-13-7-5-4-6-12(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
InChIKeyLXDALZXLDAYNOU-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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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione?
The IUPAC name of 1-(2-ethoxyphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione (CID 2927186) is 1-(2-ethoxyphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione is CCOc1ccccc1N1C(=O)CC(Sc2nccc(C)n2)C1=O.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione?
The InChIKey is LXDALZXLDAYNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-3-23-13-7-5-4-6-12(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-(2-ethoxyphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione?
1-(2-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-(2-ethoxyphenyl)-3-(4-methylpyrimidin-2-yl)sulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 2927186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).