2-[(4R)-1-(3-fluorophenyl)-5-oxo-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide

C23H24FN3O3S — CID 26313944

IUPAC2-[(4R)-1-(3-fluorophenyl)-5-oxo-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
SMILESC=CCN1C(=S)N(c2cccc(F)c2)C(=O)[C@H]1CC(=O)Nc1ccc(OCCC)cc1
InChIInChI=1S/C23H24FN3O3S/c1-3-12-26-20(22(29)27(23(26)31)18-7-5-6-16(24)14-18)15-21(28)25-17-8-10-19(11-9-17)30-13-4-2/h3,5-11,14,20H,1,4,12-13,15H2,2H3,(H,25,28)/t20-/m1/s1
InChIKeyNNUOCHAVVLWNGS-HXUWFJFHSA-N
MW441.53 g/mol
LogP4.13
Rot. Bonds9

About 2-[(4R)-1-(3-fluorophenyl)-5-oxo-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide

2-[(4R)-1-(3-fluorophenyl)-5-oxo-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide (PubChem CID 26313944) has the molecular formula C23H24FN3O3S and a molecular weight of 441.53 g/mol. Its IUPAC name is 2-[(4R)-1-(3-fluorophenyl)-5-oxo-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(4R)-1-(3-fluorophenyl)-5-oxo-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
PubChem CID26313944
Molecular FormulaC23H24FN3O3S
Molecular Weight441.53 g/mol
Exact Mass441.15
IUPAC Name2-[(4R)-1-(3-fluorophenyl)-5-oxo-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
SMILESC=CCN1C(=S)N(c2cccc(F)c2)C(=O)[C@H]1CC(=O)Nc1ccc(OCCC)cc1
InChIInChI=1S/C23H24FN3O3S/c1-3-12-26-20(22(29)27(23(26)31)18-7-5-6-16(24)14-18)15-21(28)25-17-8-10-19(11-9-17)30-13-4-2/h3,5-11,14,20H,1,4,12-13,15H2,2H3,(H,25,28)/t20-/m1/s1
InChIKeyNNUOCHAVVLWNGS-HXUWFJFHSA-N
XLogP4.13
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-5-oxo-1-phenyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
CID 7613748
2-[(4R)-1-(4-ethoxyphenyl)-5-oxo-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
CID 29080629
2-[(4S)-1-(4-ethoxyphenyl)-5-oxo-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
CID 29080627
ethyl 4-[(4R)-5-oxo-4-[2-oxo-2-(4-propoxyanilino)ethyl]-3-prop-2-enyl-2-sulfanylideneimidazolidin-1-yl]benzoate
CID 26519387
2-[(4S)-2,5-dioxo-1-phenyl-3-prop-2-enylimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
CID 7318099
2-[(4R)-3-(2-acetamidoethyl)-1-(3-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
CID 92654367
2-[1-(3-chloro-4-methoxyphenyl)-5-oxo-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 5216073
2-[1-(3-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
CID 4684498
2-[(4R)-1-(4-chlorophenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
CID 27136671
2-[(4S)-3-[2-(4-methylpiperazin-1-yl)ethyl]-1-(3-methylsulfanylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
CID 98185260
2-[1-(3-chlorophenyl)-3-[(3,4-dimethoxyphenyl)methyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
CID 3624406
2-[(4S)-3-[3-(4-ethylpiperazin-1-yl)propyl]-1-(3-methylsulfanylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
CID 98182678

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-1-(3-fluorophenyl)-5-oxo-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide?
The IUPAC name of 2-[(4R)-1-(3-fluorophenyl)-5-oxo-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide (CID 26313944) is 2-[(4R)-1-(3-fluorophenyl)-5-oxo-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide.
What is the SMILES notation for 2-[(4R)-1-(3-fluorophenyl)-5-oxo-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide?
The canonical SMILES for 2-[(4R)-1-(3-fluorophenyl)-5-oxo-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide is C=CCN1C(=S)N(c2cccc(F)c2)C(=O)[C@H]1CC(=O)Nc1ccc(OCCC)cc1.
What is the InChIKey of 2-[(4R)-1-(3-fluorophenyl)-5-oxo-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide?
The InChIKey is NNUOCHAVVLWNGS-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H24FN3O3S/c1-3-12-26-20(22(29)27(23(26)31)18-7-5-6-16(24)14-18)15-21(28)25-17-8-10-19(11-9-17)30-13-4-2/h3,5-11,14,20H,1,4,12-13,15H2,2H3,(H,25,28)/t20-/m1/s1.
What are the key properties of 2-[(4R)-1-(3-fluorophenyl)-5-oxo-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide?
2-[(4R)-1-(3-fluorophenyl)-5-oxo-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide has a molecular weight of 441.53 g/mol, XLogP of 4.13, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-1-(3-fluorophenyl)-5-oxo-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide is sourced from PubChem (CID 26313944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).