2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide

C20H23N3O3S — CID 51191007

IUPAC2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCCc1ccc(C2(C)NC(=O)N(CC(=O)NCc3cccs3)C2=O)cc1
InChIInChI=1S/C20H23N3O3S/c1-3-5-14-7-9-15(10-8-14)20(2)18(25)23(19(26)22-20)13-17(24)21-12-16-6-4-11-27-16/h4,6-11H,3,5,12-13H2,1-2H3,(H,21,24)(H,22,26)
InChIKeyDCOBADJTJBQJIT-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.78
Rot. Bonds7

About 2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide

2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 51191007) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID51191007
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCCc1ccc(C2(C)NC(=O)N(CC(=O)NCc3cccs3)C2=O)cc1
InChIInChI=1S/C20H23N3O3S/c1-3-5-14-7-9-15(10-8-14)20(2)18(25)23(19(26)22-20)13-17(24)21-12-16-6-4-11-27-16/h4,6-11H,3,5,12-13H2,1-2H3,(H,21,24)(H,22,26)
InChIKeyDCOBADJTJBQJIT-UHFFFAOYSA-N
XLogP2.78
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 17474057
2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]-N-phenylacetamide
CID 17467243
2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 7264635
2-[(4R)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 2703115
N-(4-acetamidophenyl)-2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]acetamide
CID 45356013
N-(2-ethylphenyl)-2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]acetamide
CID 78800724
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 2691233
2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 51138794
N-ethyl-2-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
CID 46628779
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 8946850
3-[2-(4-ethylphenyl)-2-oxoethyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
CID 46815454
2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 24520490

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 51191007) is 2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide is CCCc1ccc(C2(C)NC(=O)N(CC(=O)NCc3cccs3)C2=O)cc1.
What is the InChIKey of 2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is DCOBADJTJBQJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-3-5-14-7-9-15(10-8-14)20(2)18(25)23(19(26)22-20)13-17(24)21-12-16-6-4-11-27-16/h4,6-11H,3,5,12-13H2,1-2H3,(H,21,24)(H,22,26).
What are the key properties of 2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 385.49 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 51191007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).