N,N-dimethyl-2-(5-oxo-4,4-diphenyl-2-sulfanylideneimidazolidin-1-yl)acetamide

C19H19N3O2S — CID 11199004

IUPACN,N-dimethyl-2-(5-oxo-4,4-diphenyl-2-sulfanylideneimidazolidin-1-yl)acetamide
SMILESCN(C)C(=O)CN1C(=O)C(c2ccccc2)(c2ccccc2)NC1=S
InChIInChI=1S/C19H19N3O2S/c1-21(2)16(23)13-22-17(24)19(20-18(22)25,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3,(H,20,25)
InChIKeyLONZJJYKQAAHDS-UHFFFAOYSA-N
MW353.45 g/mol
LogP1.74
Rot. Bonds4

About N,N-dimethyl-2-(5-oxo-4,4-diphenyl-2-sulfanylideneimidazolidin-1-yl)acetamide

N,N-dimethyl-2-(5-oxo-4,4-diphenyl-2-sulfanylideneimidazolidin-1-yl)acetamide (PubChem CID 11199004) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N,N-dimethyl-2-(5-oxo-4,4-diphenyl-2-sulfanylideneimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(5-oxo-4,4-diphenyl-2-sulfanylideneimidazolidin-1-yl)acetamide
PubChem CID11199004
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN,N-dimethyl-2-(5-oxo-4,4-diphenyl-2-sulfanylideneimidazolidin-1-yl)acetamide
SMILESCN(C)C(=O)CN1C(=O)C(c2ccccc2)(c2ccccc2)NC1=S
InChIInChI=1S/C19H19N3O2S/c1-21(2)16(23)13-22-17(24)19(20-18(22)25,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3,(H,20,25)
InChIKeyLONZJJYKQAAHDS-UHFFFAOYSA-N
XLogP1.74
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 51.74
H-Bond Donors ≤ 51
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 N,N-dimethyl-2-(5-oxo-4,4-diphenyl-2-sulfanylideneimidazolidin-1-yl)acetamide?
The IUPAC name of N,N-dimethyl-2-(5-oxo-4,4-diphenyl-2-sulfanylideneimidazolidin-1-yl)acetamide (CID 11199004) is N,N-dimethyl-2-(5-oxo-4,4-diphenyl-2-sulfanylideneimidazolidin-1-yl)acetamide.
What is the SMILES notation for N,N-dimethyl-2-(5-oxo-4,4-diphenyl-2-sulfanylideneimidazolidin-1-yl)acetamide?
The canonical SMILES for N,N-dimethyl-2-(5-oxo-4,4-diphenyl-2-sulfanylideneimidazolidin-1-yl)acetamide is CN(C)C(=O)CN1C(=O)C(c2ccccc2)(c2ccccc2)NC1=S.
What is the InChIKey of N,N-dimethyl-2-(5-oxo-4,4-diphenyl-2-sulfanylideneimidazolidin-1-yl)acetamide?
The InChIKey is LONZJJYKQAAHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-21(2)16(23)13-22-17(24)19(20-18(22)25,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3,(H,20,25).
What are the key properties of N,N-dimethyl-2-(5-oxo-4,4-diphenyl-2-sulfanylideneimidazolidin-1-yl)acetamide?
N,N-dimethyl-2-(5-oxo-4,4-diphenyl-2-sulfanylideneimidazolidin-1-yl)acetamide has a molecular weight of 353.45 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(5-oxo-4,4-diphenyl-2-sulfanylideneimidazolidin-1-yl)acetamide is sourced from PubChem (CID 11199004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).