5-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-4-(thiophene-2-carbonyl)pyrrolidine-2,3-dione

C22H24N2O5S — CID 4756623

IUPAC5-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-4-(thiophene-2-carbonyl)pyrrolidine-2,3-dione
SMILESCOc1ccc(C2C(C(=O)c3cccs3)C(=O)C(=O)N2CCN2CCOCC2)cc1
InChIInChI=1S/C22H24N2O5S/c1-28-16-6-4-15(5-7-16)19-18(20(25)17-3-2-14-30-17)21(26)22(27)24(19)9-8-23-10-12-29-13-11-23/h2-7,14,18-19H,8-13H2,1H3
InChIKeyFDADEDMGFWCALV-UHFFFAOYSA-N
MW428.51 g/mol
LogP2.04
Rot. Bonds7

About 5-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-4-(thiophene-2-carbonyl)pyrrolidine-2,3-dione

5-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-4-(thiophene-2-carbonyl)pyrrolidine-2,3-dione (PubChem CID 4756623) has the molecular formula C22H24N2O5S and a molecular weight of 428.51 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-4-(thiophene-2-carbonyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-4-(thiophene-2-carbonyl)pyrrolidine-2,3-dione
PubChem CID4756623
Molecular FormulaC22H24N2O5S
Molecular Weight428.51 g/mol
Exact Mass428.14
IUPAC Name5-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-4-(thiophene-2-carbonyl)pyrrolidine-2,3-dione
SMILESCOc1ccc(C2C(C(=O)c3cccs3)C(=O)C(=O)N2CCN2CCOCC2)cc1
InChIInChI=1S/C22H24N2O5S/c1-28-16-6-4-15(5-7-16)19-18(20(25)17-3-2-14-30-17)21(26)22(27)24(19)9-8-23-10-12-29-13-11-23/h2-7,14,18-19H,8-13H2,1H3
InChIKeyFDADEDMGFWCALV-UHFFFAOYSA-N
XLogP2.04
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 52.04
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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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-4-(thiophene-2-carbonyl)pyrrolidine-2,3-dione?
The IUPAC name of 5-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-4-(thiophene-2-carbonyl)pyrrolidine-2,3-dione (CID 4756623) is 5-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-4-(thiophene-2-carbonyl)pyrrolidine-2,3-dione.
What is the SMILES notation for 5-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-4-(thiophene-2-carbonyl)pyrrolidine-2,3-dione?
The canonical SMILES for 5-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-4-(thiophene-2-carbonyl)pyrrolidine-2,3-dione is COc1ccc(C2C(C(=O)c3cccs3)C(=O)C(=O)N2CCN2CCOCC2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-4-(thiophene-2-carbonyl)pyrrolidine-2,3-dione?
The InChIKey is FDADEDMGFWCALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5S/c1-28-16-6-4-15(5-7-16)19-18(20(25)17-3-2-14-30-17)21(26)22(27)24(19)9-8-23-10-12-29-13-11-23/h2-7,14,18-19H,8-13H2,1H3.
What are the key properties of 5-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-4-(thiophene-2-carbonyl)pyrrolidine-2,3-dione?
5-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-4-(thiophene-2-carbonyl)pyrrolidine-2,3-dione has a molecular weight of 428.51 g/mol, XLogP of 2.04, 7 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-morpholin-4-ylethyl)-4-(thiophene-2-carbonyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 4756623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).