N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide

C17H20N2O4S — CID 2206758

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)NCc2cccs2)cc1OC
InChIInChI=1S/C17H20N2O4S/c1-22-14-6-5-12(10-15(14)23-2)7-8-18-16(20)17(21)19-11-13-4-3-9-24-13/h3-6,9-10H,7-8,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyLCESGKALQNLGJQ-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.74
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide (PubChem CID 2206758) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide
PubChem CID2206758
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)NCc2cccs2)cc1OC
InChIInChI=1S/C17H20N2O4S/c1-22-14-6-5-12(10-15(14)23-2)7-8-18-16(20)17(21)19-11-13-4-3-9-24-13/h3-6,9-10H,7-8,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyLCESGKALQNLGJQ-UHFFFAOYSA-N
XLogP1.74
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(3,4-dimethoxyphenyl)ethyl]-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

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide (CID 2206758) is N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide is COc1ccc(CCNC(=O)C(=O)NCc2cccs2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide?
The InChIKey is LCESGKALQNLGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-22-14-6-5-12(10-15(14)23-2)7-8-18-16(20)17(21)19-11-13-4-3-9-24-13/h3-6,9-10H,7-8,11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide has a molecular weight of 348.42 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide is sourced from PubChem (CID 2206758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).