N-(2-fluoro-4-methylphenyl)-2-(5-oxo-1-phenyl-3-propyl-2-sulfanylideneimidazolidin-4-yl)acetamide

C21H22FN3O2S — CID 175653787

IUPACN-(2-fluoro-4-methylphenyl)-2-(5-oxo-1-phenyl-3-propyl-2-sulfanylideneimidazolidin-4-yl)acetamide
SMILESCCCN1C(=S)N(c2ccccc2)C(=O)C1CC(=O)Nc1ccc(C)cc1F
InChIInChI=1S/C21H22FN3O2S/c1-3-11-24-18(13-19(26)23-17-10-9-14(2)12-16(17)22)20(27)25(21(24)28)15-7-5-4-6-8-15/h4-10,12,18H,3,11,13H2,1-2H3,(H,23,26)
InChIKeyMXOVSOOSKSRGKL-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.88
Rot. Bonds6

About N-(2-fluoro-4-methylphenyl)-2-(5-oxo-1-phenyl-3-propyl-2-sulfanylideneimidazolidin-4-yl)acetamide

N-(2-fluoro-4-methylphenyl)-2-(5-oxo-1-phenyl-3-propyl-2-sulfanylideneimidazolidin-4-yl)acetamide (PubChem CID 175653787) has the molecular formula C21H22FN3O2S and a molecular weight of 399.49 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-2-(5-oxo-1-phenyl-3-propyl-2-sulfanylideneimidazolidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-2-(5-oxo-1-phenyl-3-propyl-2-sulfanylideneimidazolidin-4-yl)acetamide
PubChem CID175653787
Molecular FormulaC21H22FN3O2S
Molecular Weight399.49 g/mol
Exact Mass399.14
IUPAC NameN-(2-fluoro-4-methylphenyl)-2-(5-oxo-1-phenyl-3-propyl-2-sulfanylideneimidazolidin-4-yl)acetamide
SMILESCCCN1C(=S)N(c2ccccc2)C(=O)C1CC(=O)Nc1ccc(C)cc1F
InChIInChI=1S/C21H22FN3O2S/c1-3-11-24-18(13-19(26)23-17-10-9-14(2)12-16(17)22)20(27)25(21(24)28)15-7-5-4-6-8-15/h4-10,12,18H,3,11,13H2,1-2H3,(H,23,26)
InChIKeyMXOVSOOSKSRGKL-UHFFFAOYSA-N
XLogP3.88
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-3-[2-(2-fluorophenyl)ethyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide
CID 1025495
N-[5-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl]-3-fluorobenzamide
CID 4577263
2-[1-(4-methylphenyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide
CID 46505424
N-(4-ethoxyphenyl)-2-(3-heptyl-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)acetamide
CID 5093361
2-[3-[2-(4-chlorophenyl)ethyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide
CID 4202324
2-[(4S)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 1130400
2-[(4R)-3-acetamido-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-methylphenyl)acetamide
CID 7456206
ethyl 4-[(4R)-4-[2-(4-fluoroanilino)-2-oxoethyl]-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-1-yl]benzoate
CID 41001877
ethyl 4-[(4S)-4-[2-(4-fluoroanilino)-2-oxoethyl]-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-1-yl]benzoate
CID 41001876
N-(4-methoxyphenyl)-2-[3-[2-(4-methoxyphenyl)ethyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 3140278
N-(1H-indol-6-yl)-2-[1-(4-methylphenyl)-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 19058249
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 N-(2-fluoro-4-methylphenyl)-2-(5-oxo-1-phenyl-3-propyl-2-sulfanylideneimidazolidin-4-yl)acetamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-2-(5-oxo-1-phenyl-3-propyl-2-sulfanylideneimidazolidin-4-yl)acetamide (CID 175653787) is N-(2-fluoro-4-methylphenyl)-2-(5-oxo-1-phenyl-3-propyl-2-sulfanylideneimidazolidin-4-yl)acetamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-2-(5-oxo-1-phenyl-3-propyl-2-sulfanylideneimidazolidin-4-yl)acetamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-2-(5-oxo-1-phenyl-3-propyl-2-sulfanylideneimidazolidin-4-yl)acetamide is CCCN1C(=S)N(c2ccccc2)C(=O)C1CC(=O)Nc1ccc(C)cc1F.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-2-(5-oxo-1-phenyl-3-propyl-2-sulfanylideneimidazolidin-4-yl)acetamide?
The InChIKey is MXOVSOOSKSRGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2S/c1-3-11-24-18(13-19(26)23-17-10-9-14(2)12-16(17)22)20(27)25(21(24)28)15-7-5-4-6-8-15/h4-10,12,18H,3,11,13H2,1-2H3,(H,23,26).
What are the key properties of N-(2-fluoro-4-methylphenyl)-2-(5-oxo-1-phenyl-3-propyl-2-sulfanylideneimidazolidin-4-yl)acetamide?
N-(2-fluoro-4-methylphenyl)-2-(5-oxo-1-phenyl-3-propyl-2-sulfanylideneimidazolidin-4-yl)acetamide has a molecular weight of 399.49 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-2-(5-oxo-1-phenyl-3-propyl-2-sulfanylideneimidazolidin-4-yl)acetamide is sourced from PubChem (CID 175653787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).