N-methyl-N'-(4-sulfanyloxyphenyl)oxamide

C9H10N2O3S — CID 122659151

IUPACN-methyl-N'-(4-sulfanyloxyphenyl)oxamide
SMILESCNC(=O)C(=O)Nc1ccc(OS)cc1
InChIInChI=1S/C9H10N2O3S/c1-10-8(12)9(13)11-6-2-4-7(14-15)5-3-6/h2-5,15H,1H3,(H,10,12)(H,11,13)
InChIKeyOYXGGRRNZHVHNI-UHFFFAOYSA-N
MW226.26 g/mol
LogP0.59
Rot. Bonds2

About N-methyl-N'-(4-sulfanyloxyphenyl)oxamide

N-methyl-N'-(4-sulfanyloxyphenyl)oxamide (PubChem CID 122659151) has the molecular formula C9H10N2O3S and a molecular weight of 226.26 g/mol. Its IUPAC name is N-methyl-N'-(4-sulfanyloxyphenyl)oxamide.

Molecular Properties

Compound NameN-methyl-N'-(4-sulfanyloxyphenyl)oxamide
PubChem CID122659151
Molecular FormulaC9H10N2O3S
Molecular Weight226.26 g/mol
Exact Mass226.04
IUPAC NameN-methyl-N'-(4-sulfanyloxyphenyl)oxamide
SMILESCNC(=O)C(=O)Nc1ccc(OS)cc1
InChIInChI=1S/C9H10N2O3S/c1-10-8(12)9(13)11-6-2-4-7(14-15)5-3-6/h2-5,15H,1H3,(H,10,12)(H,11,13)
InChIKeyOYXGGRRNZHVHNI-UHFFFAOYSA-N
XLogP0.59
TPSA67.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N',N'-dimethyl-N-(4-sulfanyloxyphenyl)oxamide
CID 122659162
N-methyl-N'-(4-phenoxyphenyl)oxamide
CID 2203829
N-methyl-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 44998962
N'-(4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
CID 44995864
N,N'-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]oxamide
CID 134218618
2-(4-methoxyanilino)-2-oxoacetic acid
CID 4962374
N'-(4-ethoxyphenyl)-N-(4-methylphenyl)oxamide
CID 44995934
N-(4-methoxyphenyl)-N'-(4-phenoxyphenyl)oxamide
CID 44995857
N-(4-ethoxyphenyl)-2-[2-(methylcarbamothioyl)hydrazinyl]-2-oxoacetamide
CID 4580584
1-N'-(4-fluorophenyl)-1-N-(4-sulfanyloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 144712460
N-(4-ethoxyphenyl)-2-hydrazinyl-2-oxoacetamide
CID 17349896
copper bis(2-(4-methoxyanilino)-2-oxoacetate)
CID 52913680

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-(4-sulfanyloxyphenyl)oxamide?
The IUPAC name of N-methyl-N'-(4-sulfanyloxyphenyl)oxamide (CID 122659151) is N-methyl-N'-(4-sulfanyloxyphenyl)oxamide.
What is the SMILES notation for N-methyl-N'-(4-sulfanyloxyphenyl)oxamide?
The canonical SMILES for N-methyl-N'-(4-sulfanyloxyphenyl)oxamide is CNC(=O)C(=O)Nc1ccc(OS)cc1.
What is the InChIKey of N-methyl-N'-(4-sulfanyloxyphenyl)oxamide?
The InChIKey is OYXGGRRNZHVHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3S/c1-10-8(12)9(13)11-6-2-4-7(14-15)5-3-6/h2-5,15H,1H3,(H,10,12)(H,11,13).
What are the key properties of N-methyl-N'-(4-sulfanyloxyphenyl)oxamide?
N-methyl-N'-(4-sulfanyloxyphenyl)oxamide has a molecular weight of 226.26 g/mol, XLogP of 0.59, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-(4-sulfanyloxyphenyl)oxamide is sourced from PubChem (CID 122659151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).