4-(4-methoxy-2-methylbenzoyl)-1-(2-morpholin-4-ylethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione

C23H26N2O5S — CID 4757727

IUPAC4-(4-methoxy-2-methylbenzoyl)-1-(2-morpholin-4-ylethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione
SMILESCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)C2c2cccs2)c(C)c1
InChIInChI=1S/C23H26N2O5S/c1-15-14-16(29-2)5-6-17(15)21(26)19-20(18-4-3-13-31-18)25(23(28)22(19)27)8-7-24-9-11-30-12-10-24/h3-6,13-14,19-20H,7-12H2,1-2H3
InChIKeyBOXFPOXMIZCHAQ-UHFFFAOYSA-N
MW442.54 g/mol
LogP2.35
Rot. Bonds7

About 4-(4-methoxy-2-methylbenzoyl)-1-(2-morpholin-4-ylethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione

4-(4-methoxy-2-methylbenzoyl)-1-(2-morpholin-4-ylethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione (PubChem CID 4757727) has the molecular formula C23H26N2O5S and a molecular weight of 442.54 g/mol. Its IUPAC name is 4-(4-methoxy-2-methylbenzoyl)-1-(2-morpholin-4-ylethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione.

Molecular Properties

Compound Name4-(4-methoxy-2-methylbenzoyl)-1-(2-morpholin-4-ylethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione
PubChem CID4757727
Molecular FormulaC23H26N2O5S
Molecular Weight442.54 g/mol
Exact Mass442.16
IUPAC Name4-(4-methoxy-2-methylbenzoyl)-1-(2-morpholin-4-ylethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione
SMILESCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)C2c2cccs2)c(C)c1
InChIInChI=1S/C23H26N2O5S/c1-15-14-16(29-2)5-6-17(15)21(26)19-20(18-4-3-13-31-18)25(23(28)22(19)27)8-7-24-9-11-30-12-10-24/h3-6,13-14,19-20H,7-12H2,1-2H3
InChIKeyBOXFPOXMIZCHAQ-UHFFFAOYSA-N
XLogP2.35
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-(4-methylbenzoyl)-1-(2-morpholin-4-ylethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione
CID 4751059
5-(4-fluorophenyl)-4-(4-methoxy-2-methylbenzoyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
CID 4757692
5-(4-hydroxy-3-methoxyphenyl)-4-(4-methoxy-2-methylbenzoyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
CID 4757739
5-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-4-(thiophene-2-carbonyl)pyrrolidine-2,3-dione
CID 4756623
4-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione
CID 3147722
(5S)-4-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]-1-(3-morpholin-4-ylpropyl)-5-thiophen-2-ylpyrrolidine-2,3-dione
CID 1161615
5-(2,4-dimethoxyphenyl)-4-(4-methylbenzoyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
CID 4751062
5-(4-methoxyphenyl)-4-(4-methylbenzoyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
CID 4756578
4-(4-methoxy-2-methylbenzoyl)-5-(2-methoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolidine-2,3-dione
CID 4757666
4-(4-methoxybenzoyl)-1-(3-morpholin-4-ylpropyl)-5-naphthalen-1-ylpyrrolidine-2,3-dione
CID 4757045
5-(2,3-dimethoxyphenyl)-4-(4-methoxy-2-methylbenzoyl)-1-(2-morpholin-4-ium-4-ylethyl)pyrrolidine-2,3-dione
CID 4757694
4-(4-methoxy-3-methylbenzoyl)-1-(3-morpholin-4-ylpropyl)-5-pyridin-4-ylpyrrolidine-2,3-dione
CID 4758399

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-2-methylbenzoyl)-1-(2-morpholin-4-ylethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione?
The IUPAC name of 4-(4-methoxy-2-methylbenzoyl)-1-(2-morpholin-4-ylethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione (CID 4757727) is 4-(4-methoxy-2-methylbenzoyl)-1-(2-morpholin-4-ylethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione.
What is the SMILES notation for 4-(4-methoxy-2-methylbenzoyl)-1-(2-morpholin-4-ylethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione?
The canonical SMILES for 4-(4-methoxy-2-methylbenzoyl)-1-(2-morpholin-4-ylethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione is COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)C2c2cccs2)c(C)c1.
What is the InChIKey of 4-(4-methoxy-2-methylbenzoyl)-1-(2-morpholin-4-ylethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione?
The InChIKey is BOXFPOXMIZCHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5S/c1-15-14-16(29-2)5-6-17(15)21(26)19-20(18-4-3-13-31-18)25(23(28)22(19)27)8-7-24-9-11-30-12-10-24/h3-6,13-14,19-20H,7-12H2,1-2H3.
What are the key properties of 4-(4-methoxy-2-methylbenzoyl)-1-(2-morpholin-4-ylethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione?
4-(4-methoxy-2-methylbenzoyl)-1-(2-morpholin-4-ylethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione has a molecular weight of 442.54 g/mol, XLogP of 2.35, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-2-methylbenzoyl)-1-(2-morpholin-4-ylethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione is sourced from PubChem (CID 4757727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).