N-(2,4-dimethoxyphenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide

C18H19N3O5S — CID 51288553

IUPACN-(2,4-dimethoxyphenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)NC(C)(c3cccs3)C2=O)c(OC)c1
InChIInChI=1S/C18H19N3O5S/c1-18(14-5-4-8-27-14)16(23)21(17(24)20-18)10-15(22)19-12-7-6-11(25-2)9-13(12)26-3/h4-9H,10H2,1-3H3,(H,19,22)(H,20,24)
InChIKeyGMOMLNQETJXKAN-UHFFFAOYSA-N
MW389.43 g/mol
LogP2.17
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide

N-(2,4-dimethoxyphenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide (PubChem CID 51288553) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide
PubChem CID51288553
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC NameN-(2,4-dimethoxyphenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)NC(C)(c3cccs3)C2=O)c(OC)c1
InChIInChI=1S/C18H19N3O5S/c1-18(14-5-4-8-27-14)16(23)21(17(24)20-18)10-15(22)19-12-7-6-11(25-2)9-13(12)26-3/h4-9H,10H2,1-3H3,(H,19,22)(H,20,24)
InChIKeyGMOMLNQETJXKAN-UHFFFAOYSA-N
XLogP2.17
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 52.17
H-Bond Donors ≤ 52
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-(2,4-dimethoxyphenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide (CID 51288553) is N-(2,4-dimethoxyphenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide is COc1ccc(NC(=O)CN2C(=O)NC(C)(c3cccs3)C2=O)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide?
The InChIKey is GMOMLNQETJXKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S/c1-18(14-5-4-8-27-14)16(23)21(17(24)20-18)10-15(22)19-12-7-6-11(25-2)9-13(12)26-3/h4-9H,10H2,1-3H3,(H,19,22)(H,20,24).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide?
N-(2,4-dimethoxyphenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide has a molecular weight of 389.43 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 51288553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).