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

C16H17F2N3O3S — CID 4791692

IUPAC2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
SMILESCC1(C2CC2)NC(=O)N(CC(=O)Nc2ccc(SC(F)F)cc2)C1=O
InChIInChI=1S/C16H17F2N3O3S/c1-16(9-2-3-9)13(23)21(15(24)20-16)8-12(22)19-10-4-6-11(7-5-10)25-14(17)18/h4-7,9,14H,2-3,8H2,1H3,(H,19,22)(H,20,24)
InChIKeyONNUNULVLPJAIC-UHFFFAOYSA-N
MW369.39 g/mol
LogP2.66
Rot. Bonds6

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

2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide (PubChem CID 4791692) has the molecular formula C16H17F2N3O3S and a molecular weight of 369.39 g/mol. Its IUPAC name is 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
PubChem CID4791692
Molecular FormulaC16H17F2N3O3S
Molecular Weight369.39 g/mol
Exact Mass369.10
IUPAC Name2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
SMILESCC1(C2CC2)NC(=O)N(CC(=O)Nc2ccc(SC(F)F)cc2)C1=O
InChIInChI=1S/C16H17F2N3O3S/c1-16(9-2-3-9)13(23)21(15(24)20-16)8-12(22)19-10-4-6-11(7-5-10)25-14(17)18/h4-7,9,14H,2-3,8H2,1H3,(H,19,22)(H,20,24)
InChIKeyONNUNULVLPJAIC-UHFFFAOYSA-N
XLogP2.66
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 52.66
H-Bond Donors ≤ 52
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 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
The IUPAC name of 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide (CID 4791692) is 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
The canonical SMILES for 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide is CC1(C2CC2)NC(=O)N(CC(=O)Nc2ccc(SC(F)F)cc2)C1=O.
What is the InChIKey of 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
The InChIKey is ONNUNULVLPJAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O3S/c1-16(9-2-3-9)13(23)21(15(24)20-16)8-12(22)19-10-4-6-11(7-5-10)25-14(17)18/h4-7,9,14H,2-3,8H2,1H3,(H,19,22)(H,20,24).
What are the key properties of 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide has a molecular weight of 369.39 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 4791692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).