2-[2,5-dioxo-1-phenyl-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]-N-(4-fluorophenyl)acetamide

C23H20FN3O3S — CID 4918756

IUPAC2-[2,5-dioxo-1-phenyl-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(CC1C(=O)N(c2ccccc2)C(=O)N1CCc1cccs1)Nc1ccc(F)cc1
InChIInChI=1S/C23H20FN3O3S/c24-16-8-10-17(11-9-16)25-21(28)15-20-22(29)27(18-5-2-1-3-6-18)23(30)26(20)13-12-19-7-4-14-31-19/h1-11,14,20H,12-13,15H2,(H,25,28)
InChIKeyOJKIIKFPLFCKMW-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.30
Rot. Bonds7

About 2-[2,5-dioxo-1-phenyl-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]-N-(4-fluorophenyl)acetamide

2-[2,5-dioxo-1-phenyl-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 4918756) has the molecular formula C23H20FN3O3S and a molecular weight of 437.50 g/mol. Its IUPAC name is 2-[2,5-dioxo-1-phenyl-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2,5-dioxo-1-phenyl-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
PubChem CID4918756
Molecular FormulaC23H20FN3O3S
Molecular Weight437.50 g/mol
Exact Mass437.12
IUPAC Name2-[2,5-dioxo-1-phenyl-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(CC1C(=O)N(c2ccccc2)C(=O)N1CCc1cccs1)Nc1ccc(F)cc1
InChIInChI=1S/C23H20FN3O3S/c24-16-8-10-17(11-9-16)25-21(28)15-20-22(29)27(18-5-2-1-3-6-18)23(30)26(20)13-12-19-7-4-14-31-19/h1-11,14,20H,12-13,15H2,(H,25,28)
InChIKeyOJKIIKFPLFCKMW-UHFFFAOYSA-N
XLogP4.30
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.30
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-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
N-ethyl-2-{1-(4-methylphenyl)-3-[2-(3-methyl-2-thienyl)ethyl]-2,5-dioxo-4-imidazolidinyl}acetamide
CID 2962761
(4aS,7aR)-3-(3-fluorophenyl)-2,4-dioxo-N-propyl-1-(thiophen-2-ylmethyl)-4a,6,7,7a-tetrahydropyrrolo[3,2-d]pyrimidine-5-carboxamide
CID 11884504
2-(4-fluorophenyl)-3-thien-2-ylhexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
CID 16193653
1-(4-fluorophenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 653269
2-[1-ethyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 2950381

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-dioxo-1-phenyl-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[2,5-dioxo-1-phenyl-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]-N-(4-fluorophenyl)acetamide (CID 4918756) is 2-[2,5-dioxo-1-phenyl-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2,5-dioxo-1-phenyl-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[2,5-dioxo-1-phenyl-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]-N-(4-fluorophenyl)acetamide is O=C(CC1C(=O)N(c2ccccc2)C(=O)N1CCc1cccs1)Nc1ccc(F)cc1.
What is the InChIKey of 2-[2,5-dioxo-1-phenyl-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is OJKIIKFPLFCKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O3S/c24-16-8-10-17(11-9-16)25-21(28)15-20-22(29)27(18-5-2-1-3-6-18)23(30)26(20)13-12-19-7-4-14-31-19/h1-11,14,20H,12-13,15H2,(H,25,28).
What are the key properties of 2-[2,5-dioxo-1-phenyl-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]-N-(4-fluorophenyl)acetamide?
2-[2,5-dioxo-1-phenyl-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 437.50 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-dioxo-1-phenyl-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 4918756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).