2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide

C20H20F2N4O5S — CID 55384387

IUPAC2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
SMILESCC1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)NC(=O)NCCc2cccs2)C1=O
InChIInChI=1S/C20H20F2N4O5S/c1-20(12-4-6-13(7-5-12)31-17(21)22)16(28)26(19(30)25-20)11-15(27)24-18(29)23-9-8-14-3-2-10-32-14/h2-7,10,17H,8-9,11H2,1H3,(H,25,30)(H2,23,24,27,29)
InChIKeyZYMUQGJEFMKFNS-UHFFFAOYSA-N
MW466.47 g/mol
LogP2.18
Rot. Bonds8

About 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide

2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide (PubChem CID 55384387) has the molecular formula C20H20F2N4O5S and a molecular weight of 466.47 g/mol. Its IUPAC name is 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
PubChem CID55384387
Molecular FormulaC20H20F2N4O5S
Molecular Weight466.47 g/mol
Exact Mass466.11
IUPAC Name2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
SMILESCC1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)NC(=O)NCCc2cccs2)C1=O
InChIInChI=1S/C20H20F2N4O5S/c1-20(12-4-6-13(7-5-12)31-17(21)22)16(28)26(19(30)25-20)11-15(27)24-18(29)23-9-8-14-3-2-10-32-14/h2-7,10,17H,8-9,11H2,1H3,(H,25,30)(H2,23,24,27,29)
InChIKeyZYMUQGJEFMKFNS-UHFFFAOYSA-N
XLogP2.18
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.47
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 24520490
2-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 2703290
2-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylacetamide
CID 2409253
2-[(4S)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methylbutyl)acetamide
CID 2703224
2-[(4S)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide
CID 2584855
2-[(4S)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 2108493
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 8956923
2-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 2421632
N-[(2R)-butan-2-yl]-2-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2703220
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 24520524
2-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 8571513
2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 5031590

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
The IUPAC name of 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide (CID 55384387) is 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide is CC1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)NC(=O)NCCc2cccs2)C1=O.
What is the InChIKey of 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
The InChIKey is ZYMUQGJEFMKFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O5S/c1-20(12-4-6-13(7-5-12)31-17(21)22)16(28)26(19(30)25-20)11-15(27)24-18(29)23-9-8-14-3-2-10-32-14/h2-7,10,17H,8-9,11H2,1H3,(H,25,30)(H2,23,24,27,29).
What are the key properties of 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide has a molecular weight of 466.47 g/mol, XLogP of 2.18, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide is sourced from PubChem (CID 55384387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).