N-(2-amino-2-sulfanylideneethyl)-N'-(4-ethoxyphenyl)oxamide

C12H15N3O3S — CID 43316147

IUPACN-(2-amino-2-sulfanylideneethyl)-N'-(4-ethoxyphenyl)oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NCC(N)=S)cc1
InChIInChI=1S/C12H15N3O3S/c1-2-18-9-5-3-8(4-6-9)15-12(17)11(16)14-7-10(13)19/h3-6H,2,7H2,1H3,(H2,13,19)(H,14,16)(H,15,17)
InChIKeyIJBUBHSQGFMGQP-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.43
Rot. Bonds5

About N-(2-amino-2-sulfanylideneethyl)-N'-(4-ethoxyphenyl)oxamide

N-(2-amino-2-sulfanylideneethyl)-N'-(4-ethoxyphenyl)oxamide (PubChem CID 43316147) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-N'-(4-ethoxyphenyl)oxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-N'-(4-ethoxyphenyl)oxamide
PubChem CID43316147
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-N'-(4-ethoxyphenyl)oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NCC(N)=S)cc1
InChIInChI=1S/C12H15N3O3S/c1-2-18-9-5-3-8(4-6-9)15-12(17)11(16)14-7-10(13)19/h3-6H,2,7H2,1H3,(H2,13,19)(H,14,16)(H,15,17)
InChIKeyIJBUBHSQGFMGQP-UHFFFAOYSA-N
XLogP0.43
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-carbamoylphenyl)-N'-(4-ethoxyphenyl)oxamide
CID 45001359
N-(4-ethoxyphenyl)-2-hydrazinyl-2-oxoacetamide
CID 17349896
N'-(4-ethoxyphenyl)-N-(4-methylphenyl)oxamide
CID 44995934
ethyl 2-(4-ethoxyanilino)-2-oxoacetate
CID 2204010
N'-(4-ethoxyphenyl)-N-nonyloxamide
CID 124529979
N-(4-ethoxyphenyl)-2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoacetamide
CID 4580584
N-(4-acetylphenyl)-N'-(4-ethoxyphenyl)oxamide
CID 108514413
N'-(4-ethoxyphenyl)-N-(3-ethoxypropyl)oxamide
CID 2205364
2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 39159101
N-(4-anilinophenyl)-N'-(4-ethoxyphenyl)oxamide
CID 108514453
N'-(4-ethoxyphenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 2202978
N-(cyclohexylmethyl)-N'-(4-ethoxyphenyl)oxamide
CID 2988776

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-(4-ethoxyphenyl)oxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-(4-ethoxyphenyl)oxamide (CID 43316147) is N-(2-amino-2-sulfanylideneethyl)-N'-(4-ethoxyphenyl)oxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-N'-(4-ethoxyphenyl)oxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-N'-(4-ethoxyphenyl)oxamide is CCOc1ccc(NC(=O)C(=O)NCC(N)=S)cc1.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-N'-(4-ethoxyphenyl)oxamide?
The InChIKey is IJBUBHSQGFMGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-2-18-9-5-3-8(4-6-9)15-12(17)11(16)14-7-10(13)19/h3-6H,2,7H2,1H3,(H2,13,19)(H,14,16)(H,15,17).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-N'-(4-ethoxyphenyl)oxamide?
N-(2-amino-2-sulfanylideneethyl)-N'-(4-ethoxyphenyl)oxamide has a molecular weight of 281.34 g/mol, XLogP of 0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-N'-(4-ethoxyphenyl)oxamide is sourced from PubChem (CID 43316147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).