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

C26H23ClFN3O2S — CID 5011074

IUPAC2-[1-(4-chlorophenyl)-5-oxo-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(CC1C(=O)N(c2ccc(Cl)cc2)C(=S)N1CCCc1ccccc1)Nc1ccc(F)cc1
InChIInChI=1S/C26H23ClFN3O2S/c27-19-8-14-22(15-9-19)31-25(33)23(17-24(32)29-21-12-10-20(28)11-13-21)30(26(31)34)16-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-15,23H,4,7,16-17H2,(H,29,32)
InChIKeyMBAHOGUQRLCUMB-UHFFFAOYSA-N
MW496.01 g/mol
LogP5.44
Rot. Bonds8

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

2-[1-(4-chlorophenyl)-5-oxo-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 5011074) has the molecular formula C26H23ClFN3O2S and a molecular weight of 496.01 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)-5-oxo-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)-5-oxo-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
PubChem CID5011074
Molecular FormulaC26H23ClFN3O2S
Molecular Weight496.01 g/mol
Exact Mass495.12
IUPAC Name2-[1-(4-chlorophenyl)-5-oxo-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(CC1C(=O)N(c2ccc(Cl)cc2)C(=S)N1CCCc1ccccc1)Nc1ccc(F)cc1
InChIInChI=1S/C26H23ClFN3O2S/c27-19-8-14-22(15-9-19)31-25(33)23(17-24(32)29-21-12-10-20(28)11-13-21)30(26(31)34)16-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-15,23H,4,7,16-17H2,(H,29,32)
InChIKeyMBAHOGUQRLCUMB-UHFFFAOYSA-N
XLogP5.44
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.01
LogP ≤ 55.44
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-[3-benzyl-1-(4-chlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 3681133
2-[3-[2-(4-chlorophenyl)ethyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide
CID 4202324
2-[(4S)-1-benzyl-5-oxo-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-chlorophenyl)acetamide
CID 25305135
N-(4-chlorophenyl)-2-[(4S)-1-(4-methoxyphenyl)-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 28776817
2-[(4S)-3-[3-(4-benzylpiperazin-1-yl)propyl]-1-(4-chlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-chlorophenyl)acetamide
CID 98185323
methyl 4-[[2-[5-oxo-1-phenyl-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
CID 4155392
ethyl 4-[3-[2-(4-chlorophenyl)ethyl]-4-[2-(4-fluoroanilino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate
CID 3568101
2-[3-[(4-chlorophenyl)methyl]-5-oxo-1-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 3288725
ethyl 4-[(4S)-4-[2-(4-fluoroanilino)-2-oxoethyl]-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-1-yl]benzoate
CID 41001876
ethyl 4-[(4R)-4-[2-(4-fluoroanilino)-2-oxoethyl]-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-1-yl]benzoate
CID 41001877
N-(4-ethoxyphenyl)-2-[(4R)-5-oxo-1-phenyl-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 41222162
2-[1-(4-chlorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 4918726

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)-5-oxo-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[1-(4-chlorophenyl)-5-oxo-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide (CID 5011074) is 2-[1-(4-chlorophenyl)-5-oxo-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)-5-oxo-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)-5-oxo-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide is O=C(CC1C(=O)N(c2ccc(Cl)cc2)C(=S)N1CCCc1ccccc1)Nc1ccc(F)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)-5-oxo-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is MBAHOGUQRLCUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClFN3O2S/c27-19-8-14-22(15-9-19)31-25(33)23(17-24(32)29-21-12-10-20(28)11-13-21)30(26(31)34)16-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-15,23H,4,7,16-17H2,(H,29,32).
What are the key properties of 2-[1-(4-chlorophenyl)-5-oxo-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide?
2-[1-(4-chlorophenyl)-5-oxo-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 496.01 g/mol, XLogP of 5.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)-5-oxo-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 5011074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).