2-N,5-N-bis(2-methoxyethyl)thiophene-2,5-dicarboxamide

C12H18N2O4S — CID 2225831

IUPAC2-N,5-N-bis(2-methoxyethyl)thiophene-2,5-dicarboxamide
SMILESCOCCNC(=O)c1ccc(C(=O)NCCOC)s1
InChIInChI=1S/C12H18N2O4S/c1-17-7-5-13-11(15)9-3-4-10(19-9)12(16)14-6-8-18-2/h3-4H,5-8H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyZSRUYTSQCDWQMB-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.50
Rot. Bonds8

About 2-N,5-N-bis(2-methoxyethyl)thiophene-2,5-dicarboxamide

2-N,5-N-bis(2-methoxyethyl)thiophene-2,5-dicarboxamide (PubChem CID 2225831) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-N,5-N-bis(2-methoxyethyl)thiophene-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N,5-N-bis(2-methoxyethyl)thiophene-2,5-dicarboxamide
PubChem CID2225831
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name2-N,5-N-bis(2-methoxyethyl)thiophene-2,5-dicarboxamide
SMILESCOCCNC(=O)c1ccc(C(=O)NCCOC)s1
InChIInChI=1S/C12H18N2O4S/c1-17-7-5-13-11(15)9-3-4-10(19-9)12(16)14-6-8-18-2/h3-4H,5-8H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyZSRUYTSQCDWQMB-UHFFFAOYSA-N
XLogP0.50
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-N,5-N-bis(2-methoxyethyl)thiophene-2,5-dicarboxamide 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 2-N,5-N-bis(2-methoxyethyl)thiophene-2,5-dicarboxamide?
The IUPAC name of 2-N,5-N-bis(2-methoxyethyl)thiophene-2,5-dicarboxamide (CID 2225831) is 2-N,5-N-bis(2-methoxyethyl)thiophene-2,5-dicarboxamide.
What is the SMILES notation for 2-N,5-N-bis(2-methoxyethyl)thiophene-2,5-dicarboxamide?
The canonical SMILES for 2-N,5-N-bis(2-methoxyethyl)thiophene-2,5-dicarboxamide is COCCNC(=O)c1ccc(C(=O)NCCOC)s1.
What is the InChIKey of 2-N,5-N-bis(2-methoxyethyl)thiophene-2,5-dicarboxamide?
The InChIKey is ZSRUYTSQCDWQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-17-7-5-13-11(15)9-3-4-10(19-9)12(16)14-6-8-18-2/h3-4H,5-8H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of 2-N,5-N-bis(2-methoxyethyl)thiophene-2,5-dicarboxamide?
2-N,5-N-bis(2-methoxyethyl)thiophene-2,5-dicarboxamide has a molecular weight of 286.35 g/mol, XLogP of 0.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-N-bis(2-methoxyethyl)thiophene-2,5-dicarboxamide is sourced from PubChem (CID 2225831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).