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

C18H16N4O4S — CID 46646721

IUPACN-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC1(c2ccco2)NC(=O)N(CC(=O)Nc2ccccc2SCC#N)C1=O
InChIInChI=1S/C18H16N4O4S/c1-18(14-7-4-9-26-14)16(24)22(17(25)21-18)11-15(23)20-12-5-2-3-6-13(12)27-10-8-19/h2-7,9H,10-11H2,1H3,(H,20,23)(H,21,25)
InChIKeyVXYVMGWOBYFVMY-UHFFFAOYSA-N
MW384.42 g/mol
LogP2.30
Rot. Bonds6

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

N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 46646721) has the molecular formula C18H16N4O4S and a molecular weight of 384.42 g/mol. Its IUPAC name is N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID46646721
Molecular FormulaC18H16N4O4S
Molecular Weight384.42 g/mol
Exact Mass384.09
IUPAC NameN-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC1(c2ccco2)NC(=O)N(CC(=O)Nc2ccccc2SCC#N)C1=O
InChIInChI=1S/C18H16N4O4S/c1-18(14-7-4-9-26-14)16(24)22(17(25)21-18)11-15(23)20-12-5-2-3-6-13(12)27-10-8-19/h2-7,9H,10-11H2,1H3,(H,20,23)(H,21,25)
InChIKeyVXYVMGWOBYFVMY-UHFFFAOYSA-N
XLogP2.30
TPSA115.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(difluoromethylsulfanyl)phenyl]-2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51317465
N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 43075672
N-(2,3-dichlorophenyl)-2-[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 27109399
2-[(4R)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenoxyphenyl)acetamide
CID 9451459
2-[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 27109354
N-(2,5-difluorophenyl)-2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51249939
N-(5-fluoro-2-methylphenyl)-2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 18098998
N-[2-(cyanomethylsulfanyl)phenyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 8014753
2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 17450041
5-[[2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzene-1,3-dicarboxamide
CID 24572395
2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-hydroxyethyl)acetamide
CID 43509786
N-(3-fluorophenyl)-2-[(4R)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 27109548

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 46646721) is N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is CC1(c2ccco2)NC(=O)N(CC(=O)Nc2ccccc2SCC#N)C1=O.
What is the InChIKey of N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is VXYVMGWOBYFVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4S/c1-18(14-7-4-9-26-14)16(24)22(17(25)21-18)11-15(23)20-12-5-2-3-6-13(12)27-10-8-19/h2-7,9H,10-11H2,1H3,(H,20,23)(H,21,25).
What are the key properties of N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 384.42 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 46646721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).