N-ethyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide

C18H24N4O5S — CID 8888780

IUPACN-ethyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)CN1C(=O)C(=O)N(CC(C)C)C1=O
InChIInChI=1S/C18H24N4O5S/c1-4-20(10-14(23)19-8-13-6-5-7-28-13)15(24)11-22-17(26)16(25)21(18(22)27)9-12(2)3/h5-7,12H,4,8-11H2,1-3H3,(H,19,23)
InChIKeyNKWQMZPPTBPPBT-UHFFFAOYSA-N
MW408.48 g/mol
LogP0.66
Rot. Bonds9

About N-ethyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide

N-ethyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide (PubChem CID 8888780) has the molecular formula C18H24N4O5S and a molecular weight of 408.48 g/mol. Its IUPAC name is N-ethyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
PubChem CID8888780
Molecular FormulaC18H24N4O5S
Molecular Weight408.48 g/mol
Exact Mass408.15
IUPAC NameN-ethyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)CN1C(=O)C(=O)N(CC(C)C)C1=O
InChIInChI=1S/C18H24N4O5S/c1-4-20(10-14(23)19-8-13-6-5-7-28-13)15(24)11-22-17(26)16(25)21(18(22)27)9-12(2)3/h5-7,12H,4,8-11H2,1-3H3,(H,19,23)
InChIKeyNKWQMZPPTBPPBT-UHFFFAOYSA-N
XLogP0.66
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-ethyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)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

4-(1,3-dioxoisoindol-2-yl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]butanamide
CID 8960886
N-ethyl-2-(4-oxoquinazolin-3-yl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
CID 9287080
N-(thiophen-2-ylmethyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 8626377
N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2,2-diphenylacetamide
CID 4782981
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-[ethyl-[2-(4-hydroxyphenyl)sulfanylacetyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 55835867
1-[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119909479
N-ethyl-2-naphthalen-1-yl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
CID 8960860
2-[ethyl-[2-(4-methoxyphenyl)sulfanylacetyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 8908059
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 9374666
N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-4-phenoxybutanamide
CID 25163550
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 27095198

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide?
The IUPAC name of N-ethyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide (CID 8888780) is N-ethyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide.
What is the SMILES notation for N-ethyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide?
The canonical SMILES for N-ethyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide is CCN(CC(=O)NCc1cccs1)C(=O)CN1C(=O)C(=O)N(CC(C)C)C1=O.
What is the InChIKey of N-ethyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide?
The InChIKey is NKWQMZPPTBPPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O5S/c1-4-20(10-14(23)19-8-13-6-5-7-28-13)15(24)11-22-17(26)16(25)21(18(22)27)9-12(2)3/h5-7,12H,4,8-11H2,1-3H3,(H,19,23).
What are the key properties of N-ethyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide?
N-ethyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide has a molecular weight of 408.48 g/mol, XLogP of 0.66, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide is sourced from PubChem (CID 8888780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).