2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide

C17H21N3O4S2 — CID 8954804

IUPAC2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide
SMILESO=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)NCCSCc1cccs1
InChIInChI=1S/C17H21N3O4S2/c21-14(18-7-9-25-11-13-6-3-8-26-13)10-19-15(22)16(23)20(17(19)24)12-4-1-2-5-12/h3,6,8,12H,1-2,4-5,7,9-11H2,(H,18,21)
InChIKeyZXUYFKCCQQRALC-UHFFFAOYSA-N
MW395.51 g/mol
LogP1.83
Rot. Bonds8

About 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide

2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide (PubChem CID 8954804) has the molecular formula C17H21N3O4S2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide
PubChem CID8954804
Molecular FormulaC17H21N3O4S2
Molecular Weight395.51 g/mol
Exact Mass395.10
IUPAC Name2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide
SMILESO=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)NCCSCc1cccs1
InChIInChI=1S/C17H21N3O4S2/c21-14(18-7-9-25-11-13-6-3-8-26-13)10-19-15(22)16(23)20(17(19)24)12-4-1-2-5-12/h3,6,8,12H,1-2,4-5,7,9-11H2,(H,18,21)
InChIKeyZXUYFKCCQQRALC-UHFFFAOYSA-N
XLogP1.83
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]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-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide
CID 8943406
2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 2663284
2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7756532
4-(4-acetylpiperazin-1-yl)-4-oxo-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]butanamide
CID 9472061
N-[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl]adamantane-1-carboxamide
CID 18116583
1-(pyrrolidine-1-carbonyl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]piperidine-3-carboxamide
CID 47030902
2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-iodophenyl)acetamide
CID 2660754
N-(2-cyclopentylsulfanylethyl)-2-thiophen-2-ylacetamide
CID 94101567
2-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid
CID 122148902
1-cyclohexyl-3-phenacylimidazolidine-2,4,5-trione
CID 34603406
N-(thiophen-2-ylmethyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 8626377
2-(4-chlorophenoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide
CID 7582665

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide?
The IUPAC name of 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide (CID 8954804) is 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide.
What is the SMILES notation for 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide?
The canonical SMILES for 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide is O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)NCCSCc1cccs1.
What is the InChIKey of 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide?
The InChIKey is ZXUYFKCCQQRALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S2/c21-14(18-7-9-25-11-13-6-3-8-26-13)10-19-15(22)16(23)20(17(19)24)12-4-1-2-5-12/h3,6,8,12H,1-2,4-5,7,9-11H2,(H,18,21).
What are the key properties of 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide?
2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide has a molecular weight of 395.51 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide is sourced from PubChem (CID 8954804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).