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

C25H25N3O5S — CID 4917814

IUPACN-(4-methoxyphenyl)-2-[1-(4-methoxyphenyl)-2,5-dioxo-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]acetamide
SMILESCOc1ccc(NC(=O)CC2C(=O)N(c3ccc(OC)cc3)C(=O)N2CCc2cccs2)cc1
InChIInChI=1S/C25H25N3O5S/c1-32-19-9-5-17(6-10-19)26-23(29)16-22-24(30)28(18-7-11-20(33-2)12-8-18)25(31)27(22)14-13-21-4-3-15-34-21/h3-12,15,22H,13-14,16H2,1-2H3,(H,26,29)
InChIKeyJKUBZRSZNJTAAA-UHFFFAOYSA-N
MW479.56 g/mol
LogP4.17
Rot. Bonds9

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

N-(4-methoxyphenyl)-2-[1-(4-methoxyphenyl)-2,5-dioxo-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]acetamide (PubChem CID 4917814) has the molecular formula C25H25N3O5S and a molecular weight of 479.56 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[1-(4-methoxyphenyl)-2,5-dioxo-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[1-(4-methoxyphenyl)-2,5-dioxo-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]acetamide
PubChem CID4917814
Molecular FormulaC25H25N3O5S
Molecular Weight479.56 g/mol
Exact Mass479.15
IUPAC NameN-(4-methoxyphenyl)-2-[1-(4-methoxyphenyl)-2,5-dioxo-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]acetamide
SMILESCOc1ccc(NC(=O)CC2C(=O)N(c3ccc(OC)cc3)C(=O)N2CCc2cccs2)cc1
InChIInChI=1S/C25H25N3O5S/c1-32-19-9-5-17(6-10-19)26-23(29)16-22-24(30)28(18-7-11-20(33-2)12-8-18)25(31)27(22)14-13-21-4-3-15-34-21/h3-12,15,22H,13-14,16H2,1-2H3,(H,26,29)
InChIKeyJKUBZRSZNJTAAA-UHFFFAOYSA-N
XLogP4.17
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 54.17
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-methoxyphenyl)-2-[1-(4-methoxyphenyl)-2,5-dioxo-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[1-(4-methoxyphenyl)-2,5-dioxo-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]acetamide (CID 4917814) is N-(4-methoxyphenyl)-2-[1-(4-methoxyphenyl)-2,5-dioxo-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[1-(4-methoxyphenyl)-2,5-dioxo-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[1-(4-methoxyphenyl)-2,5-dioxo-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]acetamide is COc1ccc(NC(=O)CC2C(=O)N(c3ccc(OC)cc3)C(=O)N2CCc2cccs2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[1-(4-methoxyphenyl)-2,5-dioxo-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]acetamide?
The InChIKey is JKUBZRSZNJTAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5S/c1-32-19-9-5-17(6-10-19)26-23(29)16-22-24(30)28(18-7-11-20(33-2)12-8-18)25(31)27(22)14-13-21-4-3-15-34-21/h3-12,15,22H,13-14,16H2,1-2H3,(H,26,29).
What are the key properties of N-(4-methoxyphenyl)-2-[1-(4-methoxyphenyl)-2,5-dioxo-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]acetamide?
N-(4-methoxyphenyl)-2-[1-(4-methoxyphenyl)-2,5-dioxo-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]acetamide has a molecular weight of 479.56 g/mol, XLogP of 4.17, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[1-(4-methoxyphenyl)-2,5-dioxo-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]acetamide is sourced from PubChem (CID 4917814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).