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

C26H27N3O5S — CID 12004908

IUPACN-(4-ethoxyphenyl)-2-[1-(4-methoxyphenyl)-2,5-dioxo-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]acetamide
SMILESCCOc1ccc(NC(=O)CC2C(=O)N(c3ccc(OC)cc3)C(=O)N2CCc2cccs2)cc1
InChIInChI=1S/C26H27N3O5S/c1-3-34-21-10-6-18(7-11-21)27-24(30)17-23-25(31)29(19-8-12-20(33-2)13-9-19)26(32)28(23)15-14-22-5-4-16-35-22/h4-13,16,23H,3,14-15,17H2,1-2H3,(H,27,30)
InChIKeyAJKPQSIYEFPXAE-UHFFFAOYSA-N
MW493.59 g/mol
LogP4.56
Rot. Bonds10

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

N-(4-ethoxyphenyl)-2-[1-(4-methoxyphenyl)-2,5-dioxo-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]acetamide (PubChem CID 12004908) has the molecular formula C26H27N3O5S and a molecular weight of 493.59 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[1-(4-methoxyphenyl)-2,5-dioxo-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[1-(4-methoxyphenyl)-2,5-dioxo-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]acetamide
PubChem CID12004908
Molecular FormulaC26H27N3O5S
Molecular Weight493.59 g/mol
Exact Mass493.17
IUPAC NameN-(4-ethoxyphenyl)-2-[1-(4-methoxyphenyl)-2,5-dioxo-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]acetamide
SMILESCCOc1ccc(NC(=O)CC2C(=O)N(c3ccc(OC)cc3)C(=O)N2CCc2cccs2)cc1
InChIInChI=1S/C26H27N3O5S/c1-3-34-21-10-6-18(7-11-21)27-24(30)17-23-25(31)29(19-8-12-20(33-2)13-9-19)26(32)28(23)15-14-22-5-4-16-35-22/h4-13,16,23H,3,14-15,17H2,1-2H3,(H,27,30)
InChIKeyAJKPQSIYEFPXAE-UHFFFAOYSA-N
XLogP4.56
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.59
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[1-(4-methoxyphenyl)-2,5-dioxo-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[1-(4-methoxyphenyl)-2,5-dioxo-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]acetamide (CID 12004908) is N-(4-ethoxyphenyl)-2-[1-(4-methoxyphenyl)-2,5-dioxo-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[1-(4-methoxyphenyl)-2,5-dioxo-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[1-(4-methoxyphenyl)-2,5-dioxo-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]acetamide is CCOc1ccc(NC(=O)CC2C(=O)N(c3ccc(OC)cc3)C(=O)N2CCc2cccs2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[1-(4-methoxyphenyl)-2,5-dioxo-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]acetamide?
The InChIKey is AJKPQSIYEFPXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O5S/c1-3-34-21-10-6-18(7-11-21)27-24(30)17-23-25(31)29(19-8-12-20(33-2)13-9-19)26(32)28(23)15-14-22-5-4-16-35-22/h4-13,16,23H,3,14-15,17H2,1-2H3,(H,27,30).
What are the key properties of N-(4-ethoxyphenyl)-2-[1-(4-methoxyphenyl)-2,5-dioxo-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]acetamide?
N-(4-ethoxyphenyl)-2-[1-(4-methoxyphenyl)-2,5-dioxo-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]acetamide has a molecular weight of 493.59 g/mol, XLogP of 4.56, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[1-(4-methoxyphenyl)-2,5-dioxo-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]acetamide is sourced from PubChem (CID 12004908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).