2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide

C23H29N3O3S — CID 55481097

IUPAC2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
SMILESCC(C)c1ccc(C(NC(=O)CN2C(=O)NC(C)(c3cccs3)C2=O)C(C)C)cc1
InChIInChI=1S/C23H29N3O3S/c1-14(2)16-8-10-17(11-9-16)20(15(3)4)24-19(27)13-26-21(28)23(5,25-22(26)29)18-7-6-12-30-18/h6-12,14-15,20H,13H2,1-5H3,(H,24,27)(H,25,29)
InChIKeyQQWVSDRQACYDQS-UHFFFAOYSA-N
MW427.57 g/mol
LogP4.15
Rot. Bonds7

About 2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide

2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide (PubChem CID 55481097) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is 2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
PubChem CID55481097
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC Name2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
SMILESCC(C)c1ccc(C(NC(=O)CN2C(=O)NC(C)(c3cccs3)C2=O)C(C)C)cc1
InChIInChI=1S/C23H29N3O3S/c1-14(2)16-8-10-17(11-9-16)20(15(3)4)24-19(27)13-26-21(28)23(5,25-22(26)29)18-7-6-12-30-18/h6-12,14-15,20H,13H2,1-5H3,(H,24,27)(H,25,29)
InChIKeyQQWVSDRQACYDQS-UHFFFAOYSA-N
XLogP4.15
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 54.15
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

N-(1-cyclopropylethyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide
CID 51288712
2-[(4S)-4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl]-N-(2-methylpropyl)acetamide
CID 94510412
2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
CID 47094404
N-[1-(4-chlorophenyl)-2-methylpropyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 46525783
N-[(2S)-3-methylbutan-2-yl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 7802579
N-(3-chlorophenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide
CID 51288507
2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
CID 46670398
N-[(3-chlorophenyl)methyl]-2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)acetamide
CID 51288559
2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)-N-pentylacetamide
CID 51288708
(5S)-3-(3,3-dimethyl-2-oxobutyl)-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 92582836
2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 7595825
2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[(2S)-5-methylhexan-2-yl]acetamide
CID 8625506

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide?
The IUPAC name of 2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide (CID 55481097) is 2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide.
What is the SMILES notation for 2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide?
The canonical SMILES for 2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide is CC(C)c1ccc(C(NC(=O)CN2C(=O)NC(C)(c3cccs3)C2=O)C(C)C)cc1.
What is the InChIKey of 2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide?
The InChIKey is QQWVSDRQACYDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S/c1-14(2)16-8-10-17(11-9-16)20(15(3)4)24-19(27)13-26-21(28)23(5,25-22(26)29)18-7-6-12-30-18/h6-12,14-15,20H,13H2,1-5H3,(H,24,27)(H,25,29).
What are the key properties of 2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide?
2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide has a molecular weight of 427.57 g/mol, XLogP of 4.15, 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-thiophen-2-ylimidazolidin-1-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide is sourced from PubChem (CID 55481097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).