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

C18H23F2N3O3S — CID 4804611

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC(C)CCC1(C)NC(=O)N(CC(=O)Nc2ccc(SC(F)F)cc2)C1=O
InChIInChI=1S/C18H23F2N3O3S/c1-11(2)8-9-18(3)15(25)23(17(26)22-18)10-14(24)21-12-4-6-13(7-5-12)27-16(19)20/h4-7,11,16H,8-10H2,1-3H3,(H,21,24)(H,22,26)
InChIKeyRWZAPSDVICRKOC-UHFFFAOYSA-N
MW399.46 g/mol
LogP3.69
Rot. Bonds8

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

N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 4804611) has the molecular formula C18H23F2N3O3S and a molecular weight of 399.46 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID4804611
Molecular FormulaC18H23F2N3O3S
Molecular Weight399.46 g/mol
Exact Mass399.14
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC(C)CCC1(C)NC(=O)N(CC(=O)Nc2ccc(SC(F)F)cc2)C1=O
InChIInChI=1S/C18H23F2N3O3S/c1-11(2)8-9-18(3)15(25)23(17(26)22-18)10-14(24)21-12-4-6-13(7-5-12)27-16(19)20/h4-7,11,16H,8-10H2,1-3H3,(H,21,24)(H,22,26)
InChIKeyRWZAPSDVICRKOC-UHFFFAOYSA-N
XLogP3.69
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 53.69
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

2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 42964362
2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 7180713
2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 4804619
N-[4-(difluoromethoxy)phenyl]-2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4804583
N-(4-cyanophenyl)-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2084582
N-(3,4-dimethylphenyl)-2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4804618
N-(3,5-dichlorophenyl)-2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4804638
N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55435689
2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide
CID 40720826
N-(3-methoxyphenyl)-2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2510293
N-(2,6-diethylphenyl)-2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4804642
2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 5233496

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 4804611) is N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide is CC(C)CCC1(C)NC(=O)N(CC(=O)Nc2ccc(SC(F)F)cc2)C1=O.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is RWZAPSDVICRKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N3O3S/c1-11(2)8-9-18(3)15(25)23(17(26)22-18)10-14(24)21-12-4-6-13(7-5-12)27-16(19)20/h4-7,11,16H,8-10H2,1-3H3,(H,21,24)(H,22,26).
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 399.46 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 4804611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).