2-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)acetamide

C11H11N3O2S — CID 3034582

IUPAC2-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)acetamide
SMILESNC(=O)CC1NC(=S)N(c2ccccc2)C1=O
InChIInChI=1S/C11H11N3O2S/c12-9(15)6-8-10(16)14(11(17)13-8)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,12,15)(H,13,17)
InChIKeyZQGVIKNSDQBZSS-UHFFFAOYSA-N
MW249.30 g/mol
LogP0.15
Rot. Bonds3

About 2-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)acetamide

2-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)acetamide (PubChem CID 3034582) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is 2-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)acetamide
PubChem CID3034582
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name2-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)acetamide
SMILESNC(=O)CC1NC(=S)N(c2ccccc2)C1=O
InChIInChI=1S/C11H11N3O2S/c12-9(15)6-8-10(16)14(11(17)13-8)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,12,15)(H,13,17)
InChIKeyZQGVIKNSDQBZSS-UHFFFAOYSA-N
XLogP0.15
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)acetamide?
The IUPAC name of 2-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)acetamide (CID 3034582) is 2-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)acetamide.
What is the SMILES notation for 2-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)acetamide?
The canonical SMILES for 2-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)acetamide is NC(=O)CC1NC(=S)N(c2ccccc2)C1=O.
What is the InChIKey of 2-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)acetamide?
The InChIKey is ZQGVIKNSDQBZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c12-9(15)6-8-10(16)14(11(17)13-8)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,12,15)(H,13,17).
What are the key properties of 2-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)acetamide?
2-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)acetamide has a molecular weight of 249.30 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)acetamide is sourced from PubChem (CID 3034582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).