N'-[(3-methylsulfonylphenyl)methyl]oxamide

C10H12N2O4S — CID 168950555

IUPACN'-[(3-methylsulfonylphenyl)methyl]oxamide
SMILESCS(=O)(=O)c1cccc(CNC(=O)C(N)=O)c1
InChIInChI=1S/C10H12N2O4S/c1-17(15,16)8-4-2-3-7(5-8)6-12-10(14)9(11)13/h2-5H,6H2,1H3,(H2,11,13)(H,12,14)
InChIKeyQJDZVHIJEWVTBA-UHFFFAOYSA-N
MW256.28 g/mol
LogP-0.81
Rot. Bonds3

About N'-[(3-methylsulfonylphenyl)methyl]oxamide

N'-[(3-methylsulfonylphenyl)methyl]oxamide (PubChem CID 168950555) has the molecular formula C10H12N2O4S and a molecular weight of 256.28 g/mol. Its IUPAC name is N'-[(3-methylsulfonylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[(3-methylsulfonylphenyl)methyl]oxamide
PubChem CID168950555
Molecular FormulaC10H12N2O4S
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC NameN'-[(3-methylsulfonylphenyl)methyl]oxamide
SMILESCS(=O)(=O)c1cccc(CNC(=O)C(N)=O)c1
InChIInChI=1S/C10H12N2O4S/c1-17(15,16)8-4-2-3-7(5-8)6-12-10(14)9(11)13/h2-5H,6H2,1H3,(H2,11,13)(H,12,14)
InChIKeyQJDZVHIJEWVTBA-UHFFFAOYSA-N
XLogP-0.81
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-(3-methylsulfonylphenyl)methanamine
CID 58293040
N'-[(3-methoxyphenyl)methyl]oxamide
CID 69052749
N'-benzyloxamide
CID 561416
acetic acid;(3-methylsulfonylphenyl)methanamine
CID 86081139
2-(3-methylsulfonylphenyl)ethanol
CID 68870168
1-(bromomethyl)-3-methylsulfonylbenzene
CID 22456694
2-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]propanamide
CID 61265020
2-methyl-1-[[3-(methylsulfamoyl)phenyl]methyl]guanidine
CID 110915238
2-methoxy-N-[(3-sulfamoylphenyl)methyl]acetamide
CID 32567500
4-[(3-methylsulfonylanilino)methyl]benzamide
CID 60713201
2-methyl-1-(3-methylsulfonylphenyl)propan-2-amine
CID 82618444
2-(methylamino)-N-[(3-sulfamoylphenyl)methyl]propanamide
CID 62638953

Frequently Asked Questions

What is the IUPAC name of N'-[(3-methylsulfonylphenyl)methyl]oxamide?
The IUPAC name of N'-[(3-methylsulfonylphenyl)methyl]oxamide (CID 168950555) is N'-[(3-methylsulfonylphenyl)methyl]oxamide.
What is the SMILES notation for N'-[(3-methylsulfonylphenyl)methyl]oxamide?
The canonical SMILES for N'-[(3-methylsulfonylphenyl)methyl]oxamide is CS(=O)(=O)c1cccc(CNC(=O)C(N)=O)c1.
What is the InChIKey of N'-[(3-methylsulfonylphenyl)methyl]oxamide?
The InChIKey is QJDZVHIJEWVTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4S/c1-17(15,16)8-4-2-3-7(5-8)6-12-10(14)9(11)13/h2-5H,6H2,1H3,(H2,11,13)(H,12,14).
What are the key properties of N'-[(3-methylsulfonylphenyl)methyl]oxamide?
N'-[(3-methylsulfonylphenyl)methyl]oxamide has a molecular weight of 256.28 g/mol, XLogP of -0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-methylsulfonylphenyl)methyl]oxamide is sourced from PubChem (CID 168950555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).