N-[4-(difluoromethylsulfanyl)phenyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

C13H13F2N3O3S — CID 2112878

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCN1CC(=O)N(CC(=O)Nc2ccc(SC(F)F)cc2)C1=O
InChIInChI=1S/C13H13F2N3O3S/c1-17-7-11(20)18(13(17)21)6-10(19)16-8-2-4-9(5-3-8)22-12(14)15/h2-5,12H,6-7H2,1H3,(H,16,19)
InChIKeyKTLQMYHQWOCJTK-UHFFFAOYSA-N
MW329.33 g/mol
LogP1.83
Rot. Bonds5

About N-[4-(difluoromethylsulfanyl)phenyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

N-[4-(difluoromethylsulfanyl)phenyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 2112878) has the molecular formula C13H13F2N3O3S and a molecular weight of 329.33 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID2112878
Molecular FormulaC13H13F2N3O3S
Molecular Weight329.33 g/mol
Exact Mass329.06
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCN1CC(=O)N(CC(=O)Nc2ccc(SC(F)F)cc2)C1=O
InChIInChI=1S/C13H13F2N3O3S/c1-17-7-11(20)18(13(17)21)6-10(19)16-8-2-4-9(5-3-8)22-12(14)15/h2-5,12H,6-7H2,1H3,(H,16,19)
InChIKeyKTLQMYHQWOCJTK-UHFFFAOYSA-N
XLogP1.83
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (CID 2112878) is N-[4-(difluoromethylsulfanyl)phenyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is CN1CC(=O)N(CC(=O)Nc2ccc(SC(F)F)cc2)C1=O.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is KTLQMYHQWOCJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O3S/c1-17-7-11(20)18(13(17)21)6-10(19)16-8-2-4-9(5-3-8)22-12(14)15/h2-5,12H,6-7H2,1H3,(H,16,19).
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
N-[4-(difluoromethylsulfanyl)phenyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 329.33 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfanyl)phenyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 2112878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).