2-[2,5-dioxo-1-phenyl-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide

C25H25N3O4S — CID 4918757

IUPAC2-[2,5-dioxo-1-phenyl-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CC2C(=O)N(c3ccccc3)C(=O)N2CCc2cccs2)cc1
InChIInChI=1S/C25H25N3O4S/c1-2-32-20-12-10-18(11-13-20)26-23(29)17-22-24(30)28(19-7-4-3-5-8-19)25(31)27(22)15-14-21-9-6-16-33-21/h3-13,16,22H,2,14-15,17H2,1H3,(H,26,29)
InChIKeyFHNNPKDIVZWGGK-UHFFFAOYSA-N
MW463.56 g/mol
LogP4.56
Rot. Bonds9

About 2-[2,5-dioxo-1-phenyl-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide

2-[2,5-dioxo-1-phenyl-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide (PubChem CID 4918757) has the molecular formula C25H25N3O4S and a molecular weight of 463.56 g/mol. Its IUPAC name is 2-[2,5-dioxo-1-phenyl-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2,5-dioxo-1-phenyl-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
PubChem CID4918757
Molecular FormulaC25H25N3O4S
Molecular Weight463.56 g/mol
Exact Mass463.16
IUPAC Name2-[2,5-dioxo-1-phenyl-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CC2C(=O)N(c3ccccc3)C(=O)N2CCc2cccs2)cc1
InChIInChI=1S/C25H25N3O4S/c1-2-32-20-12-10-18(11-13-20)26-23(29)17-22-24(30)28(19-7-4-3-5-8-19)25(31)27(22)15-14-21-9-6-16-33-21/h3-13,16,22H,2,14-15,17H2,1H3,(H,26,29)
InChIKeyFHNNPKDIVZWGGK-UHFFFAOYSA-N
XLogP4.56
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N1-(2-Methoxyphenyl)-N2-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 3219706
1-(4-ethoxyphenyl)-5-oxo-N-(2-oxothiolan-3-yl)pyrrolidine-3-carboxamide
CID 6494496
1-(4-Methoxyphenyl)-3-[(thiophen-2-ylmethyl)amino]pyrrolidine-2,5-dione
CID 661792
3-(4-Ethoxyphenyl)-1-methyl-5-(2-thienylmethylene)-2-thioxo-4-imidazolidinone
CID 2180088
N-[2-(3-Ethyl-4-oxo-5-{[(4-propoxyphenyl)carbamoyl]methyl}-2-sulfanylideneimidazolidin-1-YL)ethyl]acetamide
CID 12005075
Methyl [3-(4-ethoxyphenyl)-4-oxo-5-(2-thienylmethylene)-2-thioxo-1-imidazolidinyl]acetate
CID 2185984
2-[3-cyclopropyl-1-(4-ethoxyphenyl)-5-oxo-2-thioxo-4-imidazolidinyl]-N-(4-propoxyphenyl)acetamide
CID 2953299
2-{1-(4-methoxyphenyl)-5-oxo-3-[2-(thiophen-2-yl)ethyl]-2-thioxoimidazolidin-4-yl}-N-phenylacetamide
CID 2962752
3-[2-(4-Ethylsulfonylanilino)ethylamino]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 2980876
2-[3-isopropyl-5-oxo-1-(2-thienylmethyl)-2-thioxo-4-imidazolidinyl]-N-(4-methoxyphenyl)acetamide
CID 2982336
1-(4-Ethoxyphenyl)-3-[[1-(thiophene-2-carbonyl)piperidin-4-yl]amino]pyrrolidine-2,5-dione
CID 2997067
N-[(Cyclohexylcarbamoyl)methyl]-N-(4-ethoxyphenyl)-2-(thiophen-2-ylformamido)acetamide
CID 3211293

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-dioxo-1-phenyl-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-[2,5-dioxo-1-phenyl-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide (CID 4918757) is 2-[2,5-dioxo-1-phenyl-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[2,5-dioxo-1-phenyl-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[2,5-dioxo-1-phenyl-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CC2C(=O)N(c3ccccc3)C(=O)N2CCc2cccs2)cc1.
What is the InChIKey of 2-[2,5-dioxo-1-phenyl-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide?
The InChIKey is FHNNPKDIVZWGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4S/c1-2-32-20-12-10-18(11-13-20)26-23(29)17-22-24(30)28(19-7-4-3-5-8-19)25(31)27(22)15-14-21-9-6-16-33-21/h3-13,16,22H,2,14-15,17H2,1H3,(H,26,29).
What are the key properties of 2-[2,5-dioxo-1-phenyl-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide?
2-[2,5-dioxo-1-phenyl-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide has a molecular weight of 463.56 g/mol, XLogP of 4.56, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-dioxo-1-phenyl-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 4918757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).