N-(4-ethoxyphenyl)-2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoacetamide

C12H16N4O3S — CID 4580584

IUPACN-(4-ethoxyphenyl)-2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoacetamide
SMILESCCOc1ccc(NC(=O)C(=O)NNC(=S)NC)cc1
InChIInChI=1S/C12H16N4O3S/c1-3-19-9-6-4-8(5-7-9)14-10(17)11(18)15-16-12(20)13-2/h4-7H,3H2,1-2H3,(H,14,17)(H,15,18)(H2,13,16,20)
InChIKeyVESIHAZTKNNOPT-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.15
Rot. Bonds3

About N-(4-ethoxyphenyl)-2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoacetamide

N-(4-ethoxyphenyl)-2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoacetamide (PubChem CID 4580584) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoacetamide
PubChem CID4580584
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC NameN-(4-ethoxyphenyl)-2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoacetamide
SMILESCCOc1ccc(NC(=O)C(=O)NNC(=S)NC)cc1
InChIInChI=1S/C12H16N4O3S/c1-3-19-9-6-4-8(5-7-9)14-10(17)11(18)15-16-12(20)13-2/h4-7H,3H2,1-2H3,(H,14,17)(H,15,18)(H2,13,16,20)
InChIKeyVESIHAZTKNNOPT-UHFFFAOYSA-N
XLogP0.15
TPSA91.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethoxyphenyl)-2-oxo-2-(2-prop-1-en-2-ylhydrazinyl)acetamide
CID 2252294
1,3-bis(4-ethoxyphenyl)thiourea;germane
CID 172997762
1-(4-ethoxyphenyl)-3-[[3-[2-[(4-ethoxyphenyl)carbamothioyl]hydrazinyl]-3-oxopropanoyl]amino]thiourea
CID 2831126
N'-(4-ethoxyphenyl)-N-(4-methylphenyl)oxamide
CID 44995934
N-(4-ethoxyphenyl)-2-hydrazinyl-2-oxoacetamide
CID 17349896
1,3-bis(4-ethoxyphenyl)thiourea;neodymium
CID 87072028
1,3-bis(4-ethoxyphenyl)thiourea;dysprosium
CID 88592955
N-(2-amino-2-sulfanylideneethyl)-N'-(4-ethoxyphenyl)oxamide
CID 43316147
N-(4-acetylphenyl)-N'-(4-ethoxyphenyl)oxamide
CID 108514413
N-(4-carbamoylphenyl)-N'-(4-ethoxyphenyl)oxamide
CID 45001359
N-(4-anilinophenyl)-N'-(4-ethoxyphenyl)oxamide
CID 108514453
ethyl 2-(4-ethoxyanilino)-2-oxoacetate
CID 2204010

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoacetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoacetamide (CID 4580584) is N-(4-ethoxyphenyl)-2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoacetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoacetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoacetamide is CCOc1ccc(NC(=O)C(=O)NNC(=S)NC)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoacetamide?
The InChIKey is VESIHAZTKNNOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-3-19-9-6-4-8(5-7-9)14-10(17)11(18)15-16-12(20)13-2/h4-7H,3H2,1-2H3,(H,14,17)(H,15,18)(H2,13,16,20).
What are the key properties of N-(4-ethoxyphenyl)-2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoacetamide?
N-(4-ethoxyphenyl)-2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoacetamide has a molecular weight of 296.35 g/mol, XLogP of 0.15, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoacetamide is sourced from PubChem (CID 4580584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).