2-[3-[(4-fluorophenyl)methyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-iodophenyl)acetamide

C24H19FIN3O2S — CID 3572645

IUPAC2-[3-[(4-fluorophenyl)methyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-iodophenyl)acetamide
SMILESO=C(CC1C(=O)N(c2ccccc2)C(=S)N1Cc1ccc(F)cc1)Nc1ccc(I)cc1
InChIInChI=1S/C24H19FIN3O2S/c25-17-8-6-16(7-9-17)15-28-21(14-22(30)27-19-12-10-18(26)11-13-19)23(31)29(24(28)32)20-4-2-1-3-5-20/h1-13,21H,14-15H2,(H,27,30)
InChIKeyPLJXFIYJNHXSDN-UHFFFAOYSA-N
MW559.40 g/mol
LogP4.96
Rot. Bonds6

About 2-[3-[(4-fluorophenyl)methyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-iodophenyl)acetamide

2-[3-[(4-fluorophenyl)methyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-iodophenyl)acetamide (PubChem CID 3572645) has the molecular formula C24H19FIN3O2S and a molecular weight of 559.40 g/mol. Its IUPAC name is 2-[3-[(4-fluorophenyl)methyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-iodophenyl)acetamide.

Molecular Properties

Compound Name2-[3-[(4-fluorophenyl)methyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-iodophenyl)acetamide
PubChem CID3572645
Molecular FormulaC24H19FIN3O2S
Molecular Weight559.40 g/mol
Exact Mass559.02
IUPAC Name2-[3-[(4-fluorophenyl)methyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-iodophenyl)acetamide
SMILESO=C(CC1C(=O)N(c2ccccc2)C(=S)N1Cc1ccc(F)cc1)Nc1ccc(I)cc1
InChIInChI=1S/C24H19FIN3O2S/c25-17-8-6-16(7-9-17)15-28-21(14-22(30)27-19-12-10-18(26)11-13-19)23(31)29(24(28)32)20-4-2-1-3-5-20/h1-13,21H,14-15H2,(H,27,30)
InChIKeyPLJXFIYJNHXSDN-UHFFFAOYSA-N
XLogP4.96
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.40
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorophenyl)-2-[(4S)-3-[(4-methoxyphenyl)methyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 1347932
2-[3-[(4-fluorophenyl)methyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 3750214
2-[3-benzyl-1-(4-chlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 3681133
methyl 4-[[2-[3-benzyl-1-(4-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
CID 46497514
2-[3-benzyl-5-oxo-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 3420603
N-(4-methoxyphenyl)-2-[(4R)-3-[(4-methoxyphenyl)methyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 40807784
2-[(4S)-1-(4-fluorophenyl)-5-oxo-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide
CID 25305708
2-(3-benzyl-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(4-fluorophenyl)acetamide
CID 2892579
2-[1-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 4548669
N-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 3662990
2-[(4S)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 1130400
2-[1-(4-chlorophenyl)-5-oxo-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 5011074

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-fluorophenyl)methyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-iodophenyl)acetamide?
The IUPAC name of 2-[3-[(4-fluorophenyl)methyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-iodophenyl)acetamide (CID 3572645) is 2-[3-[(4-fluorophenyl)methyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-iodophenyl)acetamide.
What is the SMILES notation for 2-[3-[(4-fluorophenyl)methyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-iodophenyl)acetamide?
The canonical SMILES for 2-[3-[(4-fluorophenyl)methyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-iodophenyl)acetamide is O=C(CC1C(=O)N(c2ccccc2)C(=S)N1Cc1ccc(F)cc1)Nc1ccc(I)cc1.
What is the InChIKey of 2-[3-[(4-fluorophenyl)methyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-iodophenyl)acetamide?
The InChIKey is PLJXFIYJNHXSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FIN3O2S/c25-17-8-6-16(7-9-17)15-28-21(14-22(30)27-19-12-10-18(26)11-13-19)23(31)29(24(28)32)20-4-2-1-3-5-20/h1-13,21H,14-15H2,(H,27,30).
What are the key properties of 2-[3-[(4-fluorophenyl)methyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-iodophenyl)acetamide?
2-[3-[(4-fluorophenyl)methyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-iodophenyl)acetamide has a molecular weight of 559.40 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-fluorophenyl)methyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-iodophenyl)acetamide is sourced from PubChem (CID 3572645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).