2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide

C18H19N3O3S — CID 11948912

IUPAC2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide
SMILESCSCCC1NC(=O)N(CC(=O)Nc2cccc3ccccc23)C1=O
InChIInChI=1S/C18H19N3O3S/c1-25-10-9-15-17(23)21(18(24)20-15)11-16(22)19-14-8-4-6-12-5-2-3-7-13(12)14/h2-8,15H,9-11H2,1H3,(H,19,22)(H,20,24)
InChIKeyUIYFCFXGVIUSEF-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.45
Rot. Bonds6

About 2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide

2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide (PubChem CID 11948912) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide
PubChem CID11948912
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide
SMILESCSCCC1NC(=O)N(CC(=O)Nc2cccc3ccccc23)C1=O
InChIInChI=1S/C18H19N3O3S/c1-25-10-9-15-17(23)21(18(24)20-15)11-16(22)19-14-8-4-6-12-5-2-3-7-13(12)14/h2-8,15H,9-11H2,1H3,(H,19,22)(H,20,24)
InChIKeyUIYFCFXGVIUSEF-UHFFFAOYSA-N
XLogP2.45
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide (CID 11948912) is 2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide is CSCCC1NC(=O)N(CC(=O)Nc2cccc3ccccc23)C1=O.
What is the InChIKey of 2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide?
The InChIKey is UIYFCFXGVIUSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-25-10-9-15-17(23)21(18(24)20-15)11-16(22)19-14-8-4-6-12-5-2-3-7-13(12)14/h2-8,15H,9-11H2,1H3,(H,19,22)(H,20,24).
What are the key properties of 2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide?
2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide has a molecular weight of 357.44 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 11948912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).