N-benzyl-N'-(3-methylsulfanylphenyl)oxamide

C16H16N2O2S — CID 2818729

IUPACN-benzyl-N'-(3-methylsulfanylphenyl)oxamide
SMILESCSc1cccc(NC(=O)C(=O)NCc2ccccc2)c1
InChIInChI=1S/C16H16N2O2S/c1-21-14-9-5-8-13(10-14)18-16(20)15(19)17-11-12-6-3-2-4-7-12/h2-10H,11H2,1H3,(H,17,19)(H,18,20)
InChIKeyIYDDZLXNDVJJGW-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.66
Rot. Bonds4

About N-benzyl-N'-(3-methylsulfanylphenyl)oxamide

N-benzyl-N'-(3-methylsulfanylphenyl)oxamide (PubChem CID 2818729) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-benzyl-N'-(3-methylsulfanylphenyl)oxamide.

Molecular Properties

Compound NameN-benzyl-N'-(3-methylsulfanylphenyl)oxamide
PubChem CID2818729
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-benzyl-N'-(3-methylsulfanylphenyl)oxamide
SMILESCSc1cccc(NC(=O)C(=O)NCc2ccccc2)c1
InChIInChI=1S/C16H16N2O2S/c1-21-14-9-5-8-13(10-14)18-16(20)15(19)17-11-12-6-3-2-4-7-12/h2-10H,11H2,1H3,(H,17,19)(H,18,20)
InChIKeyIYDDZLXNDVJJGW-UHFFFAOYSA-N
XLogP2.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-benzyl-N'-(3-methylsulfanylphenyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-(3-methylsulfanylphenyl)oxamide?
The IUPAC name of N-benzyl-N'-(3-methylsulfanylphenyl)oxamide (CID 2818729) is N-benzyl-N'-(3-methylsulfanylphenyl)oxamide.
What is the SMILES notation for N-benzyl-N'-(3-methylsulfanylphenyl)oxamide?
The canonical SMILES for N-benzyl-N'-(3-methylsulfanylphenyl)oxamide is CSc1cccc(NC(=O)C(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-N'-(3-methylsulfanylphenyl)oxamide?
The InChIKey is IYDDZLXNDVJJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-21-14-9-5-8-13(10-14)18-16(20)15(19)17-11-12-6-3-2-4-7-12/h2-10H,11H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-benzyl-N'-(3-methylsulfanylphenyl)oxamide?
N-benzyl-N'-(3-methylsulfanylphenyl)oxamide has a molecular weight of 300.38 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-(3-methylsulfanylphenyl)oxamide is sourced from PubChem (CID 2818729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).