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

C14H14N4O3S — CID 8014753

IUPACN-[2-(cyanomethylsulfanyl)phenyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCN1CC(=O)N(CC(=O)Nc2ccccc2SCC#N)C1=O
InChIInChI=1S/C14H14N4O3S/c1-17-9-13(20)18(14(17)21)8-12(19)16-10-4-2-3-5-11(10)22-7-6-15/h2-5H,7-9H2,1H3,(H,16,19)
InChIKeyDZJFONQJLAPMRY-UHFFFAOYSA-N
MW318.36 g/mol
LogP1.13
Rot. Bonds5

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

N-[2-(cyanomethylsulfanyl)phenyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 8014753) has the molecular formula C14H14N4O3S and a molecular weight of 318.36 g/mol. Its IUPAC name is N-[2-(cyanomethylsulfanyl)phenyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(cyanomethylsulfanyl)phenyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID8014753
Molecular FormulaC14H14N4O3S
Molecular Weight318.36 g/mol
Exact Mass318.08
IUPAC NameN-[2-(cyanomethylsulfanyl)phenyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCN1CC(=O)N(CC(=O)Nc2ccccc2SCC#N)C1=O
InChIInChI=1S/C14H14N4O3S/c1-17-9-13(20)18(14(17)21)8-12(19)16-10-4-2-3-5-11(10)22-7-6-15/h2-5H,7-9H2,1H3,(H,16,19)
InChIKeyDZJFONQJLAPMRY-UHFFFAOYSA-N
XLogP1.13
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 46646721
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-phenoxyphenyl)acetamide
CID 8014768
N-[2-(cyanomethylsulfanyl)phenyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 7484459
N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 29157908
N-[2-(cyanomethylsulfanyl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 2682247
N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetamide
CID 9300467
N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 8703950
2-[[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 9105247
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 112779006
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 8014784
N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 43075672
N-[2-(cyanomethylsulfanyl)phenyl]-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 8633936

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyanomethylsulfanyl)phenyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-[2-(cyanomethylsulfanyl)phenyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (CID 8014753) is N-[2-(cyanomethylsulfanyl)phenyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[2-(cyanomethylsulfanyl)phenyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[2-(cyanomethylsulfanyl)phenyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is CN1CC(=O)N(CC(=O)Nc2ccccc2SCC#N)C1=O.
What is the InChIKey of N-[2-(cyanomethylsulfanyl)phenyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is DZJFONQJLAPMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3S/c1-17-9-13(20)18(14(17)21)8-12(19)16-10-4-2-3-5-11(10)22-7-6-15/h2-5H,7-9H2,1H3,(H,16,19).
What are the key properties of N-[2-(cyanomethylsulfanyl)phenyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
N-[2-(cyanomethylsulfanyl)phenyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 318.36 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyanomethylsulfanyl)phenyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 8014753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).