1-(4-ethoxyphenyl)-3-[2-[4-(thiophene-2-carbonyl)anilino]ethylamino]pyrrolidine-2,5-dione

C25H25N3O4S — CID 2983778

IUPAC1-(4-ethoxyphenyl)-3-[2-[4-(thiophene-2-carbonyl)anilino]ethylamino]pyrrolidine-2,5-dione
SMILESCCOc1ccc(N2C(=O)CC(NCCNc3ccc(C(=O)c4cccs4)cc3)C2=O)cc1
InChIInChI=1S/C25H25N3O4S/c1-2-32-20-11-9-19(10-12-20)28-23(29)16-21(25(28)31)27-14-13-26-18-7-5-17(6-8-18)24(30)22-4-3-15-33-22/h3-12,15,21,26-27H,2,13-14,16H2,1H3
InChIKeyUAUQVZOWLCQVSE-UHFFFAOYSA-N
MW463.56 g/mol
LogP3.71
Rot. Bonds10

About 1-(4-ethoxyphenyl)-3-[2-[4-(thiophene-2-carbonyl)anilino]ethylamino]pyrrolidine-2,5-dione

1-(4-ethoxyphenyl)-3-[2-[4-(thiophene-2-carbonyl)anilino]ethylamino]pyrrolidine-2,5-dione (PubChem CID 2983778) has the molecular formula C25H25N3O4S and a molecular weight of 463.56 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-[2-[4-(thiophene-2-carbonyl)anilino]ethylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-[2-[4-(thiophene-2-carbonyl)anilino]ethylamino]pyrrolidine-2,5-dione
PubChem CID2983778
Molecular FormulaC25H25N3O4S
Molecular Weight463.56 g/mol
Exact Mass463.16
IUPAC Name1-(4-ethoxyphenyl)-3-[2-[4-(thiophene-2-carbonyl)anilino]ethylamino]pyrrolidine-2,5-dione
SMILESCCOc1ccc(N2C(=O)CC(NCCNc3ccc(C(=O)c4cccs4)cc3)C2=O)cc1
InChIInChI=1S/C25H25N3O4S/c1-2-32-20-11-9-19(10-12-20)28-23(29)16-21(25(28)31)27-14-13-26-18-7-5-17(6-8-18)24(30)22-4-3-15-33-22/h3-12,15,21,26-27H,2,13-14,16H2,1H3
InChIKeyUAUQVZOWLCQVSE-UHFFFAOYSA-N
XLogP3.71
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Flaviviruses-IN-2
CID 3378615
Ethyl 4-(5-methylfuran-2-yl)-2-[[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetyl]amino]thiophene-3-carboxylate
CID 2519090
1-(4-Ethoxyphenyl)-3-[[1-(thiophene-2-carbonyl)piperidin-4-yl]amino]pyrrolidine-2,5-dione
CID 2997067
Thiophene-2-carboxylic acid {[cyclohexylcarbamoylmethyl-(4-ethoxy-phenyl)-carbamoyl]-methyl}-amide
CID 3211293
Thiophene-2-carboxylic acid [({[(furan-2-ylmethyl)-carbamoyl]-p-tolyl-methyl}-p-tolyl-carbamoyl)-methyl]-amide
CID 3215617
N-[2-(4-methoxy-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3215892
N-(4-methoxyphenyl)-2-(4-methylphenyl)-2-[(thiophen-2-ylacetyl)amino]acetamide
CID 4272876
N-{2-[(4-methoxyphenyl)amino]-1-(4-methylphenyl)-2-oxoethyl}-N-methyl-2-(thiophen-2-yl)acetamide
CID 4661529
N-(4-ethoxyphenyl)-2-{3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxo-1-phenylimidazolidin-4-yl}acetamide
CID 4917870
2-[1-(4-Acetamidophenyl)-N-[(thiophen-2-YL)methyl]formamido]-N-(3-ethoxypropyl)-2-(4-methoxyphenyl)acetamide
CID 15987606
N-(4-ethoxyphenyl)-2-(2-methylpropyl)-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide
CID 22549247
5-oxo-N-[1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]-5-thiophen-2-ylpentanamide
CID 70689653

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-[2-[4-(thiophene-2-carbonyl)anilino]ethylamino]pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-ethoxyphenyl)-3-[2-[4-(thiophene-2-carbonyl)anilino]ethylamino]pyrrolidine-2,5-dione (CID 2983778) is 1-(4-ethoxyphenyl)-3-[2-[4-(thiophene-2-carbonyl)anilino]ethylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-[2-[4-(thiophene-2-carbonyl)anilino]ethylamino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-[2-[4-(thiophene-2-carbonyl)anilino]ethylamino]pyrrolidine-2,5-dione is CCOc1ccc(N2C(=O)CC(NCCNc3ccc(C(=O)c4cccs4)cc3)C2=O)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-[2-[4-(thiophene-2-carbonyl)anilino]ethylamino]pyrrolidine-2,5-dione?
The InChIKey is UAUQVZOWLCQVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4S/c1-2-32-20-11-9-19(10-12-20)28-23(29)16-21(25(28)31)27-14-13-26-18-7-5-17(6-8-18)24(30)22-4-3-15-33-22/h3-12,15,21,26-27H,2,13-14,16H2,1H3.
What are the key properties of 1-(4-ethoxyphenyl)-3-[2-[4-(thiophene-2-carbonyl)anilino]ethylamino]pyrrolidine-2,5-dione?
1-(4-ethoxyphenyl)-3-[2-[4-(thiophene-2-carbonyl)anilino]ethylamino]pyrrolidine-2,5-dione has a molecular weight of 463.56 g/mol, XLogP of 3.71, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-[2-[4-(thiophene-2-carbonyl)anilino]ethylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 2983778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).