2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-(1-thiophen-2-ylethyl)acetamide

C20H21N3O3S — CID 84601357

IUPAC2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC(NC(=O)CN1C(=O)NC2(CCc3ccccc3C2)C1=O)c1cccs1
InChIInChI=1S/C20H21N3O3S/c1-13(16-7-4-10-27-16)21-17(24)12-23-18(25)20(22-19(23)26)9-8-14-5-2-3-6-15(14)11-20/h2-7,10,13H,8-9,11-12H2,1H3,(H,21,24)(H,22,26)
InChIKeyJIJWXFZKZQXSAF-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.40
Rot. Bonds4

About 2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-(1-thiophen-2-ylethyl)acetamide

2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-(1-thiophen-2-ylethyl)acetamide (PubChem CID 84601357) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-(1-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-(1-thiophen-2-ylethyl)acetamide
PubChem CID84601357
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC(NC(=O)CN1C(=O)NC2(CCc3ccccc3C2)C1=O)c1cccs1
InChIInChI=1S/C20H21N3O3S/c1-13(16-7-4-10-27-16)21-17(24)12-23-18(25)20(22-19(23)26)9-8-14-5-2-3-6-15(14)11-20/h2-7,10,13H,8-9,11-12H2,1H3,(H,21,24)(H,22,26)
InChIKeyJIJWXFZKZQXSAF-UHFFFAOYSA-N
XLogP2.40
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-(1-thiophen-2-ylethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 17440300
2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-(1-naphthalen-1-ylethyl)acetamide
CID 55398463
2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 55366827
N-(2,6-dichlorophenyl)-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide
CID 112774177
2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 112774012
2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-propylacetamide
CID 84601373
2-[[2-[(3S)-2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 2454039
2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-prop-2-enylacetamide
CID 84601367
2-[(4S)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 7618772
2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 7618766
2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-(4-fluorophenyl)acetamide
CID 3662145
[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 92783410

Frequently Asked Questions

What is the IUPAC name of 2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-(1-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-(1-thiophen-2-ylethyl)acetamide (CID 84601357) is 2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-(1-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-(1-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-(1-thiophen-2-ylethyl)acetamide is CC(NC(=O)CN1C(=O)NC2(CCc3ccccc3C2)C1=O)c1cccs1.
What is the InChIKey of 2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-(1-thiophen-2-ylethyl)acetamide?
The InChIKey is JIJWXFZKZQXSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-13(16-7-4-10-27-16)21-17(24)12-23-18(25)20(22-19(23)26)9-8-14-5-2-3-6-15(14)11-20/h2-7,10,13H,8-9,11-12H2,1H3,(H,21,24)(H,22,26).
What are the key properties of 2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-(1-thiophen-2-ylethyl)acetamide?
2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-(1-thiophen-2-ylethyl)acetamide has a molecular weight of 383.47 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-(1-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 84601357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).