2-[4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide

C21H25N3O3S — CID 3949143

IUPAC2-[4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(C)(C)c1ccc(C2(C)NC(=O)N(CC(=O)NCc3cccs3)C2=O)cc1
InChIInChI=1S/C21H25N3O3S/c1-20(2,3)14-7-9-15(10-8-14)21(4)18(26)24(19(27)23-21)13-17(25)22-12-16-6-5-11-28-16/h5-11H,12-13H2,1-4H3,(H,22,25)(H,23,27)
InChIKeyAPHITIFBOYABPV-UHFFFAOYSA-N
MW399.52 g/mol
LogP3.13
Rot. Bonds5

About 2-[4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide

2-[4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 3949143) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is 2-[4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID3949143
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC Name2-[4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(C)(C)c1ccc(C2(C)NC(=O)N(CC(=O)NCc3cccs3)C2=O)cc1
InChIInChI=1S/C21H25N3O3S/c1-20(2,3)14-7-9-15(10-8-14)21(4)18(26)24(19(27)23-21)13-17(25)22-12-16-6-5-11-28-16/h5-11H,12-13H2,1-4H3,(H,22,25)(H,23,27)
InChIKeyAPHITIFBOYABPV-UHFFFAOYSA-N
XLogP3.13
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 53.13
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

Proline scaffold, 28
CID 42618125
2-(2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl)acetamide
CID 4826065
N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-phenylacetamide
CID 7809163
2-{2',5'-dioxo-6,7-dihydro-5H-spiro[1-benzothiophene-4,4'-imidazolidin]-1'-yl}acetonitrile
CID 16316073
Thiantoin
CID 31325
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 2551998
3-[(4-Methylsulfanylphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 2578523
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 2691233
2-[3-(2-fluorobenzyl)-2-oxoimidazolidin-1-yl]-N-(thien-2-ylmethyl)acetamide
CID 3236197
2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 3873033
N-(3-ethoxypropyl)-2-(4-methylphenyl)-2-[(thiophen-2-ylacetyl)amino]acetamide
CID 4029195
2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 4266964

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 3949143) is 2-[4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide is CC(C)(C)c1ccc(C2(C)NC(=O)N(CC(=O)NCc3cccs3)C2=O)cc1.
What is the InChIKey of 2-[4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is APHITIFBOYABPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-20(2,3)14-7-9-15(10-8-14)21(4)18(26)24(19(27)23-21)13-17(25)22-12-16-6-5-11-28-16/h5-11H,12-13H2,1-4H3,(H,22,25)(H,23,27).
What are the key properties of 2-[4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 399.52 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 3949143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).