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

C23H21N3O4S — CID 4185974

IUPAC2-[1-(4-methoxyphenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide
SMILESCOc1ccc(N2C(=O)C(CC(=O)Nc3ccccc3)N(Cc3cccs3)C2=O)cc1
InChIInChI=1S/C23H21N3O4S/c1-30-18-11-9-17(10-12-18)26-22(28)20(14-21(27)24-16-6-3-2-4-7-16)25(23(26)29)15-19-8-5-13-31-19/h2-13,20H,14-15H2,1H3,(H,24,27)
InChIKeyPSZRQQIMGPKEGU-UHFFFAOYSA-N
MW435.51 g/mol
LogP4.12
Rot. Bonds7

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

2-[1-(4-methoxyphenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide (PubChem CID 4185974) has the molecular formula C23H21N3O4S and a molecular weight of 435.51 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide
PubChem CID4185974
Molecular FormulaC23H21N3O4S
Molecular Weight435.51 g/mol
Exact Mass435.13
IUPAC Name2-[1-(4-methoxyphenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide
SMILESCOc1ccc(N2C(=O)C(CC(=O)Nc3ccccc3)N(Cc3cccs3)C2=O)cc1
InChIInChI=1S/C23H21N3O4S/c1-30-18-11-9-17(10-12-18)26-22(28)20(14-21(27)24-16-6-3-2-4-7-16)25(23(26)29)15-19-8-5-13-31-19/h2-13,20H,14-15H2,1H3,(H,24,27)
InChIKeyPSZRQQIMGPKEGU-UHFFFAOYSA-N
XLogP4.12
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 54.12
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-[1-(4-methoxyphenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide?
The IUPAC name of 2-[1-(4-methoxyphenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide (CID 4185974) is 2-[1-(4-methoxyphenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide?
The canonical SMILES for 2-[1-(4-methoxyphenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide is COc1ccc(N2C(=O)C(CC(=O)Nc3ccccc3)N(Cc3cccs3)C2=O)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide?
The InChIKey is PSZRQQIMGPKEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S/c1-30-18-11-9-17(10-12-18)26-22(28)20(14-21(27)24-16-6-3-2-4-7-16)25(23(26)29)15-19-8-5-13-31-19/h2-13,20H,14-15H2,1H3,(H,24,27).
What are the key properties of 2-[1-(4-methoxyphenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide?
2-[1-(4-methoxyphenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide has a molecular weight of 435.51 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide is sourced from PubChem (CID 4185974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).