N'-(2-hydroxy-5-methylphenyl)-N-(3-methylsulfanylphenyl)oxamide

C16H16N2O3S — CID 108520093

IUPACN'-(2-hydroxy-5-methylphenyl)-N-(3-methylsulfanylphenyl)oxamide
SMILESCSc1cccc(NC(=O)C(=O)Nc2cc(C)ccc2O)c1
InChIInChI=1S/C16H16N2O3S/c1-10-6-7-14(19)13(8-10)18-16(21)15(20)17-11-4-3-5-12(9-11)22-2/h3-9,19H,1-2H3,(H,17,20)(H,18,21)
InChIKeyWUZRHFMBYSYJGB-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.00
Rot. Bonds3

About N'-(2-hydroxy-5-methylphenyl)-N-(3-methylsulfanylphenyl)oxamide

N'-(2-hydroxy-5-methylphenyl)-N-(3-methylsulfanylphenyl)oxamide (PubChem CID 108520093) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is N'-(2-hydroxy-5-methylphenyl)-N-(3-methylsulfanylphenyl)oxamide.

Molecular Properties

Compound NameN'-(2-hydroxy-5-methylphenyl)-N-(3-methylsulfanylphenyl)oxamide
PubChem CID108520093
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC NameN'-(2-hydroxy-5-methylphenyl)-N-(3-methylsulfanylphenyl)oxamide
SMILESCSc1cccc(NC(=O)C(=O)Nc2cc(C)ccc2O)c1
InChIInChI=1S/C16H16N2O3S/c1-10-6-7-14(19)13(8-10)18-16(21)15(20)17-11-4-3-5-12(9-11)22-2/h3-9,19H,1-2H3,(H,17,20)(H,18,21)
InChIKeyWUZRHFMBYSYJGB-UHFFFAOYSA-N
XLogP3.00
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dimethylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 112839629
N-(3-methylsulfanylphenyl)-N'-(2-propan-2-ylphenyl)oxamide
CID 108500500
1-(2-methoxy-5-methylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 51062441
N'-(2-hydroxy-5-methylphenyl)-N-(6-methyl-2-pyridinyl)oxamide
CID 108522685
N'-(2,5-dimethylphenyl)-N-(3-hydroxyphenyl)oxamide
CID 45000850
N'-(3-acetamidophenyl)-N-(2-hydroxy-4-methylphenyl)oxamide
CID 108526616
N-(2-hydroxyethyl)-N'-(3-methylsulfanylphenyl)oxamide
CID 44997522
2-bromo-5-methyl-N-(3-methylsulfanylphenyl)benzamide
CID 80959344
N-(3-methylsulfanylphenyl)-N'-quinolin-8-yloxamide
CID 108520162
N-(2-hydroxy-5-methylphenyl)-N'-pyrimidin-2-yloxamide
CID 108520686
N-(3-acetamidophenyl)-N'-(2,5-dimethylphenyl)oxamide
CID 45001294
(3-methylsulfanylphenyl)carbamothioic S-acid
CID 154169667

Frequently Asked Questions

What is the IUPAC name of N'-(2-hydroxy-5-methylphenyl)-N-(3-methylsulfanylphenyl)oxamide?
The IUPAC name of N'-(2-hydroxy-5-methylphenyl)-N-(3-methylsulfanylphenyl)oxamide (CID 108520093) is N'-(2-hydroxy-5-methylphenyl)-N-(3-methylsulfanylphenyl)oxamide.
What is the SMILES notation for N'-(2-hydroxy-5-methylphenyl)-N-(3-methylsulfanylphenyl)oxamide?
The canonical SMILES for N'-(2-hydroxy-5-methylphenyl)-N-(3-methylsulfanylphenyl)oxamide is CSc1cccc(NC(=O)C(=O)Nc2cc(C)ccc2O)c1.
What is the InChIKey of N'-(2-hydroxy-5-methylphenyl)-N-(3-methylsulfanylphenyl)oxamide?
The InChIKey is WUZRHFMBYSYJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-10-6-7-14(19)13(8-10)18-16(21)15(20)17-11-4-3-5-12(9-11)22-2/h3-9,19H,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N'-(2-hydroxy-5-methylphenyl)-N-(3-methylsulfanylphenyl)oxamide?
N'-(2-hydroxy-5-methylphenyl)-N-(3-methylsulfanylphenyl)oxamide has a molecular weight of 316.38 g/mol, XLogP of 3.00, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-hydroxy-5-methylphenyl)-N-(3-methylsulfanylphenyl)oxamide is sourced from PubChem (CID 108520093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).