N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C26H24FN3O3S — CID 46512781

IUPACN-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCc1ccc(Sc2ccc(NC(=O)CN3C(=O)NC(C)(c4ccc(F)cc4)C3=O)cc2)c(C)c1
InChIInChI=1S/C26H24FN3O3S/c1-16-4-13-22(17(2)14-16)34-21-11-9-20(10-12-21)28-23(31)15-30-24(32)26(3,29-25(30)33)18-5-7-19(27)8-6-18/h4-14H,15H2,1-3H3,(H,28,31)(H,29,33)
InChIKeyIVDZTWSFLGIKCY-UHFFFAOYSA-N
MW477.56 g/mol
LogP5.00
Rot. Bonds6

About N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 46512781) has the molecular formula C26H24FN3O3S and a molecular weight of 477.56 g/mol. Its IUPAC name is N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID46512781
Molecular FormulaC26H24FN3O3S
Molecular Weight477.56 g/mol
Exact Mass477.15
IUPAC NameN-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCc1ccc(Sc2ccc(NC(=O)CN3C(=O)NC(C)(c4ccc(F)cc4)C3=O)cc2)c(C)c1
InChIInChI=1S/C26H24FN3O3S/c1-16-4-13-22(17(2)14-16)34-21-11-9-20(10-12-21)28-23(31)15-30-24(32)26(3,29-25(30)33)18-5-7-19(27)8-6-18/h4-14H,15H2,1-3H3,(H,28,31)(H,29,33)
InChIKeyIVDZTWSFLGIKCY-UHFFFAOYSA-N
XLogP5.00
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.56
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2504049
N-(4-fluorophenyl)-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2581954
N-(3-fluoro-4-methylphenyl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51250072
N-[4-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]phenyl]-2-methylpropanamide
CID 46513573
2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 2084864
2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 55434764
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 46671942
2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 5031590
N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55435689
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 42918889
2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 42964296
(5R)-3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 27141300

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 46512781) is N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is Cc1ccc(Sc2ccc(NC(=O)CN3C(=O)NC(C)(c4ccc(F)cc4)C3=O)cc2)c(C)c1.
What is the InChIKey of N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is IVDZTWSFLGIKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O3S/c1-16-4-13-22(17(2)14-16)34-21-11-9-20(10-12-21)28-23(31)15-30-24(32)26(3,29-25(30)33)18-5-7-19(27)8-6-18/h4-14H,15H2,1-3H3,(H,28,31)(H,29,33).
What are the key properties of N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 477.56 g/mol, XLogP of 5.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 46512781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).