4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-N-methylpyridine-2-carboxamide

C20H19F3N4O3S — CID 54586291

IUPAC4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(CN2C(=O)N(c3ccc(SC(F)(F)F)cc3)C(=O)C2(C)C)ccn1
InChIInChI=1S/C20H19F3N4O3S/c1-19(2)17(29)27(13-4-6-14(7-5-13)31-20(21,22)23)18(30)26(19)11-12-8-9-25-15(10-12)16(28)24-3/h4-10H,11H2,1-3H3,(H,24,28)
InChIKeyKRWOKMOAWAHEGJ-UHFFFAOYSA-N
MW452.46 g/mol
LogP3.80
Rot. Bonds5

About 4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-N-methylpyridine-2-carboxamide

4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-N-methylpyridine-2-carboxamide (PubChem CID 54586291) has the molecular formula C20H19F3N4O3S and a molecular weight of 452.46 g/mol. Its IUPAC name is 4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-N-methylpyridine-2-carboxamide
PubChem CID54586291
Molecular FormulaC20H19F3N4O3S
Molecular Weight452.46 g/mol
Exact Mass452.11
IUPAC Name4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(CN2C(=O)N(c3ccc(SC(F)(F)F)cc3)C(=O)C2(C)C)ccn1
InChIInChI=1S/C20H19F3N4O3S/c1-19(2)17(29)27(13-4-6-14(7-5-13)31-20(21,22)23)18(30)26(19)11-12-8-9-25-15(10-12)16(28)24-3/h4-10H,11H2,1-3H3,(H,24,28)
InChIKeyKRWOKMOAWAHEGJ-UHFFFAOYSA-N
XLogP3.80
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.46
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-N-methylpyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-N-methylpyridine-2-carboxamide (CID 54586291) is 4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(CN2C(=O)N(c3ccc(SC(F)(F)F)cc3)C(=O)C2(C)C)ccn1.
What is the InChIKey of 4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-N-methylpyridine-2-carboxamide?
The InChIKey is KRWOKMOAWAHEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O3S/c1-19(2)17(29)27(13-4-6-14(7-5-13)31-20(21,22)23)18(30)26(19)11-12-8-9-25-15(10-12)16(28)24-3/h4-10H,11H2,1-3H3,(H,24,28).
What are the key properties of 4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-N-methylpyridine-2-carboxamide?
4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-N-methylpyridine-2-carboxamide has a molecular weight of 452.46 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 54586291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).