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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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).