2-[5-oxo-1-(2-phenylethyl)-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide

C28H29N3O2S — CID 5107080

IUPAC2-[5-oxo-1-(2-phenylethyl)-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide
SMILESO=C(CC1C(=O)N(CCc2ccccc2)C(=S)N1CCCc1ccccc1)Nc1ccccc1
InChIInChI=1S/C28H29N3O2S/c32-26(29-24-16-8-3-9-17-24)21-25-27(33)31(20-18-23-13-6-2-7-14-23)28(34)30(25)19-10-15-22-11-4-1-5-12-22/h1-9,11-14,16-17,25H,10,15,18-21H2,(H,29,32)
InChIKeyYGSPNLHJIKYQFO-UHFFFAOYSA-N
MW471.63 g/mol
LogP4.69
Rot. Bonds10

About 2-[5-oxo-1-(2-phenylethyl)-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide

2-[5-oxo-1-(2-phenylethyl)-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide (PubChem CID 5107080) has the molecular formula C28H29N3O2S and a molecular weight of 471.63 g/mol. Its IUPAC name is 2-[5-oxo-1-(2-phenylethyl)-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[5-oxo-1-(2-phenylethyl)-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide
PubChem CID5107080
Molecular FormulaC28H29N3O2S
Molecular Weight471.63 g/mol
Exact Mass471.20
IUPAC Name2-[5-oxo-1-(2-phenylethyl)-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide
SMILESO=C(CC1C(=O)N(CCc2ccccc2)C(=S)N1CCCc1ccccc1)Nc1ccccc1
InChIInChI=1S/C28H29N3O2S/c32-26(29-24-16-8-3-9-17-24)21-25-27(33)31(20-18-23-13-6-2-7-14-23)28(34)30(25)19-10-15-22-11-4-1-5-12-22/h1-9,11-14,16-17,25H,10,15,18-21H2,(H,29,32)
InChIKeyYGSPNLHJIKYQFO-UHFFFAOYSA-N
XLogP4.69
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.63
LogP ≤ 54.69
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 2-[5-oxo-1-(2-phenylethyl)-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide?
The IUPAC name of 2-[5-oxo-1-(2-phenylethyl)-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide (CID 5107080) is 2-[5-oxo-1-(2-phenylethyl)-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[5-oxo-1-(2-phenylethyl)-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide?
The canonical SMILES for 2-[5-oxo-1-(2-phenylethyl)-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide is O=C(CC1C(=O)N(CCc2ccccc2)C(=S)N1CCCc1ccccc1)Nc1ccccc1.
What is the InChIKey of 2-[5-oxo-1-(2-phenylethyl)-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide?
The InChIKey is YGSPNLHJIKYQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O2S/c32-26(29-24-16-8-3-9-17-24)21-25-27(33)31(20-18-23-13-6-2-7-14-23)28(34)30(25)19-10-15-22-11-4-1-5-12-22/h1-9,11-14,16-17,25H,10,15,18-21H2,(H,29,32).
What are the key properties of 2-[5-oxo-1-(2-phenylethyl)-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide?
2-[5-oxo-1-(2-phenylethyl)-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide has a molecular weight of 471.63 g/mol, XLogP of 4.69, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-oxo-1-(2-phenylethyl)-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide is sourced from PubChem (CID 5107080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).