N-methoxy-4-methylthiophene-3-carboxamide

C7H9NO2S — CID 79777235

IUPACN-methoxy-4-methylthiophene-3-carboxamide
SMILESCONC(=O)c1cscc1C
InChIInChI=1S/C7H9NO2S/c1-5-3-11-4-6(5)7(9)8-10-2/h3-4H,1-2H3,(H,8,9)
InChIKeyZCVIEKWWKVQTMG-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.35
Rot. Bonds2

About N-methoxy-4-methylthiophene-3-carboxamide

N-methoxy-4-methylthiophene-3-carboxamide (PubChem CID 79777235) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is N-methoxy-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-methoxy-4-methylthiophene-3-carboxamide
PubChem CID79777235
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC NameN-methoxy-4-methylthiophene-3-carboxamide
SMILESCONC(=O)c1cscc1C
InChIInChI=1S/C7H9NO2S/c1-5-3-11-4-6(5)7(9)8-10-2/h3-4H,1-2H3,(H,8,9)
InChIKeyZCVIEKWWKVQTMG-UHFFFAOYSA-N
XLogP1.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-methoxy-4-methylthiophene-3-carboxamide 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-methoxy-4-methylthiophene-3-carboxamide?
The IUPAC name of N-methoxy-4-methylthiophene-3-carboxamide (CID 79777235) is N-methoxy-4-methylthiophene-3-carboxamide.
What is the SMILES notation for N-methoxy-4-methylthiophene-3-carboxamide?
The canonical SMILES for N-methoxy-4-methylthiophene-3-carboxamide is CONC(=O)c1cscc1C.
What is the InChIKey of N-methoxy-4-methylthiophene-3-carboxamide?
The InChIKey is ZCVIEKWWKVQTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S/c1-5-3-11-4-6(5)7(9)8-10-2/h3-4H,1-2H3,(H,8,9).
What are the key properties of N-methoxy-4-methylthiophene-3-carboxamide?
N-methoxy-4-methylthiophene-3-carboxamide has a molecular weight of 171.22 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 79777235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).