N-(2-cyanophenyl)-2-oxo-2-(5-oxo-2-sulfanylideneimidazolidin-4-yl)acetamide

C12H8N4O3S — CID 3004331

IUPACN-(2-cyanophenyl)-2-oxo-2-(5-oxo-2-sulfanylideneimidazolidin-4-yl)acetamide
SMILESN#Cc1ccccc1NC(=O)C(=O)C1NC(=S)NC1=O
InChIInChI=1S/C12H8N4O3S/c13-5-6-3-1-2-4-7(6)14-11(19)9(17)8-10(18)16-12(20)15-8/h1-4,8H,(H,14,19)(H2,15,16,18,20)
InChIKeyORACOXBRMZVSHL-UHFFFAOYSA-N
MW288.29 g/mol
LogP-0.56
Rot. Bonds3

About N-(2-cyanophenyl)-2-oxo-2-(5-oxo-2-sulfanylideneimidazolidin-4-yl)acetamide

N-(2-cyanophenyl)-2-oxo-2-(5-oxo-2-sulfanylideneimidazolidin-4-yl)acetamide (PubChem CID 3004331) has the molecular formula C12H8N4O3S and a molecular weight of 288.29 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-oxo-2-(5-oxo-2-sulfanylideneimidazolidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-oxo-2-(5-oxo-2-sulfanylideneimidazolidin-4-yl)acetamide
PubChem CID3004331
Molecular FormulaC12H8N4O3S
Molecular Weight288.29 g/mol
Exact Mass288.03
IUPAC NameN-(2-cyanophenyl)-2-oxo-2-(5-oxo-2-sulfanylideneimidazolidin-4-yl)acetamide
SMILESN#Cc1ccccc1NC(=O)C(=O)C1NC(=S)NC1=O
InChIInChI=1S/C12H8N4O3S/c13-5-6-3-1-2-4-7(6)14-11(19)9(17)8-10(18)16-12(20)15-8/h1-4,8H,(H,14,19)(H2,15,16,18,20)
InChIKeyORACOXBRMZVSHL-UHFFFAOYSA-N
XLogP-0.56
TPSA111.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

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CID 681566
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N'-tert-butyl-N-(2-cyanophenyl)oxamide
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N'-(2-cyanophenyl)-N-(4-cyanophenyl)oxamide
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N-(2-cyanophenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
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N-(2-cyanophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103760486
N-(2-cyanophenyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107178518
3-(2-cyanophenyl)-1,1-diphenylurea
CID 3830875
N-(4-carbamoylphenyl)-N'-(2-cyanophenyl)oxamide
CID 108501638
N'-(2-cyanophenyl)-N-propyloxamide
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N'-(2-cyanophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)oxamide
CID 52992789

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-oxo-2-(5-oxo-2-sulfanylideneimidazolidin-4-yl)acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-oxo-2-(5-oxo-2-sulfanylideneimidazolidin-4-yl)acetamide (CID 3004331) is N-(2-cyanophenyl)-2-oxo-2-(5-oxo-2-sulfanylideneimidazolidin-4-yl)acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-oxo-2-(5-oxo-2-sulfanylideneimidazolidin-4-yl)acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-oxo-2-(5-oxo-2-sulfanylideneimidazolidin-4-yl)acetamide is N#Cc1ccccc1NC(=O)C(=O)C1NC(=S)NC1=O.
What is the InChIKey of N-(2-cyanophenyl)-2-oxo-2-(5-oxo-2-sulfanylideneimidazolidin-4-yl)acetamide?
The InChIKey is ORACOXBRMZVSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O3S/c13-5-6-3-1-2-4-7(6)14-11(19)9(17)8-10(18)16-12(20)15-8/h1-4,8H,(H,14,19)(H2,15,16,18,20).
What are the key properties of N-(2-cyanophenyl)-2-oxo-2-(5-oxo-2-sulfanylideneimidazolidin-4-yl)acetamide?
N-(2-cyanophenyl)-2-oxo-2-(5-oxo-2-sulfanylideneimidazolidin-4-yl)acetamide has a molecular weight of 288.29 g/mol, XLogP of -0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-oxo-2-(5-oxo-2-sulfanylideneimidazolidin-4-yl)acetamide is sourced from PubChem (CID 3004331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).