N'-(3,5-dimethylphenyl)-N-(thiophen-2-ylmethyl)oxamide

C15H16N2O2S — CID 7292734

IUPACN'-(3,5-dimethylphenyl)-N-(thiophen-2-ylmethyl)oxamide
SMILESCc1cc(C)cc(NC(=O)C(=O)NCc2cccs2)c1
InChIInChI=1S/C15H16N2O2S/c1-10-6-11(2)8-12(7-10)17-15(19)14(18)16-9-13-4-3-5-20-13/h3-8H,9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyDQEIEXYRTHONFQ-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.62
Rot. Bonds3

About N'-(3,5-dimethylphenyl)-N-(thiophen-2-ylmethyl)oxamide

N'-(3,5-dimethylphenyl)-N-(thiophen-2-ylmethyl)oxamide (PubChem CID 7292734) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N'-(3,5-dimethylphenyl)-N-(thiophen-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(3,5-dimethylphenyl)-N-(thiophen-2-ylmethyl)oxamide
PubChem CID7292734
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN'-(3,5-dimethylphenyl)-N-(thiophen-2-ylmethyl)oxamide
SMILESCc1cc(C)cc(NC(=O)C(=O)NCc2cccs2)c1
InChIInChI=1S/C15H16N2O2S/c1-10-6-11(2)8-12(7-10)17-15(19)14(18)16-9-13-4-3-5-20-13/h3-8H,9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyDQEIEXYRTHONFQ-UHFFFAOYSA-N
XLogP2.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(3,5-dimethylphenyl)-N-(thiophen-2-ylmethyl)oxamide with MolForge

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

Launch Full Analysis

Related Compounds

N'-(3-cyano-5-methylphenyl)-N-(thiophen-2-ylmethyl)oxamide
CID 139833872
N'-(4-bromo-3-methylphenyl)-N-(thiophen-2-ylmethyl)oxamide
CID 47148033
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
N'-[3,5-bis(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)oxamide
CID 139833843
N'-(3,5-dimethylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 122264488
N'-[4-[(S)-methylsulfinyl]phenyl]-N-(thiophen-2-ylmethyl)oxamide
CID 97257633
N'-(3,5-dimethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide
CID 90500125
N'-[3-methoxy-5-(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)oxamide
CID 139833835
N'-(3-methoxy-5-nitrophenyl)-N-(thiophen-2-ylmethyl)oxamide
CID 139833853
N'-[3-nitro-5-(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)oxamide
CID 139833851
N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-N'-(3-methylphenyl)oxamide
CID 97106555
N'-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 7541440

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dimethylphenyl)-N-(thiophen-2-ylmethyl)oxamide?
The IUPAC name of N'-(3,5-dimethylphenyl)-N-(thiophen-2-ylmethyl)oxamide (CID 7292734) is N'-(3,5-dimethylphenyl)-N-(thiophen-2-ylmethyl)oxamide.
What is the SMILES notation for N'-(3,5-dimethylphenyl)-N-(thiophen-2-ylmethyl)oxamide?
The canonical SMILES for N'-(3,5-dimethylphenyl)-N-(thiophen-2-ylmethyl)oxamide is Cc1cc(C)cc(NC(=O)C(=O)NCc2cccs2)c1.
What is the InChIKey of N'-(3,5-dimethylphenyl)-N-(thiophen-2-ylmethyl)oxamide?
The InChIKey is DQEIEXYRTHONFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-10-6-11(2)8-12(7-10)17-15(19)14(18)16-9-13-4-3-5-20-13/h3-8H,9H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N'-(3,5-dimethylphenyl)-N-(thiophen-2-ylmethyl)oxamide?
N'-(3,5-dimethylphenyl)-N-(thiophen-2-ylmethyl)oxamide has a molecular weight of 288.37 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dimethylphenyl)-N-(thiophen-2-ylmethyl)oxamide is sourced from PubChem (CID 7292734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).