2-[1-(4-methoxyphenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide

C24H22N4O3S — CID 4918660

IUPAC2-[1-(4-methoxyphenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide
SMILESCOc1ccc(N2C(=O)C(CC(=O)Nc3ccccc3)N(Cc3ccccn3)C2=S)cc1
InChIInChI=1S/C24H22N4O3S/c1-31-20-12-10-19(11-13-20)28-23(30)21(15-22(29)26-17-7-3-2-4-8-17)27(24(28)32)16-18-9-5-6-14-25-18/h2-14,21H,15-16H2,1H3,(H,26,29)
InChIKeyFXLLGOWOOJQUAU-UHFFFAOYSA-N
MW446.53 g/mol
LogP3.62
Rot. Bonds7

About 2-[1-(4-methoxyphenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide

2-[1-(4-methoxyphenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide (PubChem CID 4918660) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide
PubChem CID4918660
Molecular FormulaC24H22N4O3S
Molecular Weight446.53 g/mol
Exact Mass446.14
IUPAC Name2-[1-(4-methoxyphenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide
SMILESCOc1ccc(N2C(=O)C(CC(=O)Nc3ccccc3)N(Cc3ccccn3)C2=S)cc1
InChIInChI=1S/C24H22N4O3S/c1-31-20-12-10-19(11-13-20)28-23(30)21(15-22(29)26-17-7-3-2-4-8-17)27(24(28)32)16-18-9-5-6-14-25-18/h2-14,21H,15-16H2,1H3,(H,26,29)
InChIKeyFXLLGOWOOJQUAU-UHFFFAOYSA-N
XLogP3.62
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-{1-(4-chlorophenyl)-5-oxo-3-[2-(4-pyridinyl)ethyl]-2-thioxo-4-imidazolidinyl}-N-(4-methoxyphenyl)acetamide
CID 2936934
1-(4-ethoxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 6494486
2-{1-(4-chlorophenyl)-5-oxo-3-[2-(pyridin-2-yl)ethyl]-2-thioxoimidazolidin-4-yl}-N-(4-methoxyphenyl)acetamide
CID 3801644
N-(4-methoxyphenyl)-2-[1-methyl-5-oxo-3-(4-pyridinylmethyl)-2-thioxo-4-imidazolidinyl]acetamide
CID 2936303
2-[1-benzyl-5-oxo-3-(3-pyridinylmethyl)-2-thioxo-4-imidazolidinyl]-N-(4-methoxyphenyl)acetamide
CID 2949800
2-[2,5-dioxo-1-phenyl-3-(2-pyridinylmethyl)-4-imidazolidinyl]-N-(4-ethoxyphenyl)acetamide
CID 2962731
2-[2-(4-methoxyphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 3904456
2-[2-(4-methoxyphenyl)imino-4-oxo-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 5215882
2-[1-(4-Chlorophenyl)-2,5-dioxo-3-[2-(pyridin-4-YL)ethyl]imidazolidin-4-YL]-N-(4-propoxyphenyl)acetamide
CID 16022114
1-(4-methoxyphenyl)-5-oxo-N-(pyridin-3-yl)pyrrolidine-3-carboxamide
CID 6460702
(5Z)-3-(4-methoxyphenyl)-5-(pyridin-3-ylmethylene)-2-thioxoimidazolidin-4-one
CID 12004506
(5E)-1-(4-bromophenyl)-5-{[1-(4-methoxyphenyl)-1H-pyrrol-2-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
CID 1337795

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide?
The IUPAC name of 2-[1-(4-methoxyphenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide (CID 4918660) is 2-[1-(4-methoxyphenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide?
The canonical SMILES for 2-[1-(4-methoxyphenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide is COc1ccc(N2C(=O)C(CC(=O)Nc3ccccc3)N(Cc3ccccn3)C2=S)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide?
The InChIKey is FXLLGOWOOJQUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c1-31-20-12-10-19(11-13-20)28-23(30)21(15-22(29)26-17-7-3-2-4-8-17)27(24(28)32)16-18-9-5-6-14-25-18/h2-14,21H,15-16H2,1H3,(H,26,29).
What are the key properties of 2-[1-(4-methoxyphenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide?
2-[1-(4-methoxyphenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide has a molecular weight of 446.53 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)-5-oxo-3-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide is sourced from PubChem (CID 4918660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).