N-(4-fluorophenyl)-2-[3-(2-fluorophenyl)-1-(2-morpholin-4-ylethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide

C23H24F2N4O3S — CID 21232802

IUPACN-(4-fluorophenyl)-2-[3-(2-fluorophenyl)-1-(2-morpholin-4-ylethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
SMILESO=C(CC1C(=O)N(CCN2CCOCC2)C(=S)N1c1ccccc1F)Nc1ccc(F)cc1
InChIInChI=1S/C23H24F2N4O3S/c24-16-5-7-17(8-6-16)26-21(30)15-20-22(31)28(10-9-27-11-13-32-14-12-27)23(33)29(20)19-4-2-1-3-18(19)25/h1-8,20H,9-15H2,(H,26,30)
InChIKeyXEIFUDHEZSBBEZ-UHFFFAOYSA-N
MW474.53 g/mol
LogP2.63
Rot. Bonds7

About N-(4-fluorophenyl)-2-[3-(2-fluorophenyl)-1-(2-morpholin-4-ylethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide

N-(4-fluorophenyl)-2-[3-(2-fluorophenyl)-1-(2-morpholin-4-ylethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide (PubChem CID 21232802) has the molecular formula C23H24F2N4O3S and a molecular weight of 474.53 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[3-(2-fluorophenyl)-1-(2-morpholin-4-ylethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[3-(2-fluorophenyl)-1-(2-morpholin-4-ylethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
PubChem CID21232802
Molecular FormulaC23H24F2N4O3S
Molecular Weight474.53 g/mol
Exact Mass474.15
IUPAC NameN-(4-fluorophenyl)-2-[3-(2-fluorophenyl)-1-(2-morpholin-4-ylethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
SMILESO=C(CC1C(=O)N(CCN2CCOCC2)C(=S)N1c1ccccc1F)Nc1ccc(F)cc1
InChIInChI=1S/C23H24F2N4O3S/c24-16-5-7-17(8-6-16)26-21(30)15-20-22(31)28(10-9-27-11-13-32-14-12-27)23(33)29(20)19-4-2-1-3-18(19)25/h1-8,20H,9-15H2,(H,26,30)
InChIKeyXEIFUDHEZSBBEZ-UHFFFAOYSA-N
XLogP2.63
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.53
LogP ≤ 52.63
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-benzyl-3-(2-morpholin-4-ylethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 2950160
methyl 4-[[2-[(4S)-1-(4-fluorophenyl)-3-(2-morpholin-4-ylethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
CID 28592935
2-[1-ethyl-3-[2-(2-fluorophenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 2950543
2-[3-cyclohexyl-1-(2-fluorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 2984696
2-[(4S)-1-ethyl-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 7025975
2-[3-[(4-chlorophenyl)methyl]-5-oxo-1-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 3288725
N-(3-fluorophenyl)-2-[(1R)-3-(2-morpholin-4-ylethyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 38094645
N-(4-methoxyphenyl)-2-[(4R)-1-methyl-3-(2-morpholin-4-ylethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 7291768
N-(2-fluorophenyl)-2-[3-(2-morpholin-4-ylethyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 43832462
2-[3-(1,3-benzodioxol-5-ylmethyl)-5-oxo-1-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 3837639
N-(4-fluorophenyl)-2-[(4S)-3-(furan-2-ylmethyl)-5-oxo-1-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 42559181
methyl 4-[[2-[3-(3-morpholin-4-ylpropyl)-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
CID 4637514

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[3-(2-fluorophenyl)-1-(2-morpholin-4-ylethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[3-(2-fluorophenyl)-1-(2-morpholin-4-ylethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide (CID 21232802) is N-(4-fluorophenyl)-2-[3-(2-fluorophenyl)-1-(2-morpholin-4-ylethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[3-(2-fluorophenyl)-1-(2-morpholin-4-ylethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[3-(2-fluorophenyl)-1-(2-morpholin-4-ylethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide is O=C(CC1C(=O)N(CCN2CCOCC2)C(=S)N1c1ccccc1F)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[3-(2-fluorophenyl)-1-(2-morpholin-4-ylethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide?
The InChIKey is XEIFUDHEZSBBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O3S/c24-16-5-7-17(8-6-16)26-21(30)15-20-22(31)28(10-9-27-11-13-32-14-12-27)23(33)29(20)19-4-2-1-3-18(19)25/h1-8,20H,9-15H2,(H,26,30).
What are the key properties of N-(4-fluorophenyl)-2-[3-(2-fluorophenyl)-1-(2-morpholin-4-ylethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide?
N-(4-fluorophenyl)-2-[3-(2-fluorophenyl)-1-(2-morpholin-4-ylethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide has a molecular weight of 474.53 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[3-(2-fluorophenyl)-1-(2-morpholin-4-ylethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide is sourced from PubChem (CID 21232802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).