N'-(2,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)oxamide

C15H16N2O4S — CID 3220610

IUPACN'-(2,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCc2cccs2)c(OC)c1
InChIInChI=1S/C15H16N2O4S/c1-20-10-5-6-12(13(8-10)21-2)17-15(19)14(18)16-9-11-4-3-7-22-11/h3-8H,9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyQIRLYYYSGVSLNH-UHFFFAOYSA-N
MW320.37 g/mol
LogP2.02
Rot. Bonds5

About N'-(2,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)oxamide

N'-(2,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)oxamide (PubChem CID 3220610) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is N'-(2,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(2,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)oxamide
PubChem CID3220610
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC NameN'-(2,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCc2cccs2)c(OC)c1
InChIInChI=1S/C15H16N2O4S/c1-20-10-5-6-12(13(8-10)21-2)17-15(19)14(18)16-9-11-4-3-7-22-11/h3-8H,9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyQIRLYYYSGVSLNH-UHFFFAOYSA-N
XLogP2.02
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(2,4-dimethoxyanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
CID 7406588
N'-(2,4-dimethoxyphenyl)-N-propyloxamide
CID 44995967
N'-(2,4-dimethoxyphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide
CID 90612790
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-thiophen-2-ylpropanoate
CID 8529441
N'-(2,5-dimethoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887339
N'-(2,5-dimethoxyphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 122264524
N'-[3-methoxy-5-(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)oxamide
CID 139833835
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-thiophen-2-ylbutanoate
CID 7962482
N'-(2,4-dimethoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 44998130
N-(2,4-dimethoxyphenyl)-N'-(2-ethylphenyl)oxamide
CID 3220613
N'-(2,4-dimethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide
CID 90496945
N'-(3-methoxy-5-nitrophenyl)-N-(thiophen-2-ylmethyl)oxamide
CID 139833853

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)oxamide?
The IUPAC name of N'-(2,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)oxamide (CID 3220610) is N'-(2,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)oxamide.
What is the SMILES notation for N'-(2,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)oxamide?
The canonical SMILES for N'-(2,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)oxamide is COc1ccc(NC(=O)C(=O)NCc2cccs2)c(OC)c1.
What is the InChIKey of N'-(2,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)oxamide?
The InChIKey is QIRLYYYSGVSLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-20-10-5-6-12(13(8-10)21-2)17-15(19)14(18)16-9-11-4-3-7-22-11/h3-8H,9H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N'-(2,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)oxamide?
N'-(2,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)oxamide has a molecular weight of 320.37 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)oxamide is sourced from PubChem (CID 3220610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).