2-[1-(4-fluorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide

C24H22FN3O3S — CID 4917866

IUPAC2-[1-(4-fluorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
SMILESCc1ccsc1CCN1C(=O)N(c2ccc(F)cc2)C(=O)C1CC(=O)Nc1ccccc1
InChIInChI=1S/C24H22FN3O3S/c1-16-12-14-32-21(16)11-13-27-20(15-22(29)26-18-5-3-2-4-6-18)23(30)28(24(27)31)19-9-7-17(25)8-10-19/h2-10,12,14,20H,11,13,15H2,1H3,(H,26,29)
InChIKeyNRBFJHDANDGXCA-UHFFFAOYSA-N
MW451.52 g/mol
LogP4.60
Rot. Bonds7

About 2-[1-(4-fluorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide

2-[1-(4-fluorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide (PubChem CID 4917866) has the molecular formula C24H22FN3O3S and a molecular weight of 451.52 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
PubChem CID4917866
Molecular FormulaC24H22FN3O3S
Molecular Weight451.52 g/mol
Exact Mass451.14
IUPAC Name2-[1-(4-fluorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
SMILESCc1ccsc1CCN1C(=O)N(c2ccc(F)cc2)C(=O)C1CC(=O)Nc1ccccc1
InChIInChI=1S/C24H22FN3O3S/c1-16-12-14-32-21(16)11-13-27-20(15-22(29)26-18-5-3-2-4-6-18)23(30)28(24(27)31)19-9-7-17(25)8-10-19/h2-10,12,14,20H,11,13,15H2,1H3,(H,26,29)
InChIKeyNRBFJHDANDGXCA-UHFFFAOYSA-N
XLogP4.60
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorophenyl)-2-(1-methyl-5-oxo-3-(thiophen-2-ylmethyl)-2-thioxoimidazolidin-4-yl)acetamide
CID 3498692
Pyrrolidine-1,2-dicarboxylic acid 1-phenylamide 2-[(thiophen-2-ylmethyl)-amide]
CID 649454
N-[1-(4-chlorophenyl)-2,5-dioxo-3-pyrrolidinyl]-N'-phenyl-N-(2-thienylmethyl)urea
CID 2958227
1-N-(3-fluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 3230247
N-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 4918725
N-(4-methylphenyl)-2-[(4E)-4-[(5-methylthiophen-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7326464
N-ethyl-2-{1-(4-fluorophenyl)-3-[2-(3-methylthien-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl}acetamide
CID 16193855
1-Phenyl-8-thiophen-3-ylmethyl-1,3,8-triaza-spiro[4.5]decan-4-one
CID 44438916
1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-thiophen-3-ylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 56659805
N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide
CID 3202937
N-ethyl-2-{1-(4-methylphenyl)-3-[2-(3-methyl-2-thienyl)ethyl]-2,5-dioxo-4-imidazolidinyl}acetamide
CID 2962761
Pyrrolidine-1,2-dicarboxylic acid 2-[(thiophen-2-ylmethyl)-amide] 1-p-tolylamide
CID 3219699

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide?
The IUPAC name of 2-[1-(4-fluorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide (CID 4917866) is 2-[1-(4-fluorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[1-(4-fluorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide?
The canonical SMILES for 2-[1-(4-fluorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide is Cc1ccsc1CCN1C(=O)N(c2ccc(F)cc2)C(=O)C1CC(=O)Nc1ccccc1.
What is the InChIKey of 2-[1-(4-fluorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide?
The InChIKey is NRBFJHDANDGXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O3S/c1-16-12-14-32-21(16)11-13-27-20(15-22(29)26-18-5-3-2-4-6-18)23(30)28(24(27)31)19-9-7-17(25)8-10-19/h2-10,12,14,20H,11,13,15H2,1H3,(H,26,29).
What are the key properties of 2-[1-(4-fluorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide?
2-[1-(4-fluorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide has a molecular weight of 451.52 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide is sourced from PubChem (CID 4917866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).