N-methoxy-N-methyl-4-(trifluoromethyl)thiophene-2-carboxamide

C8H8F3NO2S — CID 156842609

IUPACN-methoxy-N-methyl-4-(trifluoromethyl)thiophene-2-carboxamide
SMILESCON(C)C(=O)c1cc(C(F)(F)F)cs1
InChIInChI=1S/C8H8F3NO2S/c1-12(14-2)7(13)6-3-5(4-15-6)8(9,10)11/h3-4H,1-2H3
InChIKeyOHPLFWTZXGVXDQ-UHFFFAOYSA-N
MW239.22 g/mol
LogP2.40
Rot. Bonds2

About N-methoxy-N-methyl-4-(trifluoromethyl)thiophene-2-carboxamide

N-methoxy-N-methyl-4-(trifluoromethyl)thiophene-2-carboxamide (PubChem CID 156842609) has the molecular formula C8H8F3NO2S and a molecular weight of 239.22 g/mol. Its IUPAC name is N-methoxy-N-methyl-4-(trifluoromethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-4-(trifluoromethyl)thiophene-2-carboxamide
PubChem CID156842609
Molecular FormulaC8H8F3NO2S
Molecular Weight239.22 g/mol
Exact Mass239.02
IUPAC NameN-methoxy-N-methyl-4-(trifluoromethyl)thiophene-2-carboxamide
SMILESCON(C)C(=O)c1cc(C(F)(F)F)cs1
InChIInChI=1S/C8H8F3NO2S/c1-12(14-2)7(13)6-3-5(4-15-6)8(9,10)11/h3-4H,1-2H3
InChIKeyOHPLFWTZXGVXDQ-UHFFFAOYSA-N
XLogP2.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-methoxy-N-methyl-4-(trifluoromethyl)thiophene-2-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-N-methyl-4-(trifluoromethyl)thiophene-2-carboxamide?
The IUPAC name of N-methoxy-N-methyl-4-(trifluoromethyl)thiophene-2-carboxamide (CID 156842609) is N-methoxy-N-methyl-4-(trifluoromethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-methoxy-N-methyl-4-(trifluoromethyl)thiophene-2-carboxamide?
The canonical SMILES for N-methoxy-N-methyl-4-(trifluoromethyl)thiophene-2-carboxamide is CON(C)C(=O)c1cc(C(F)(F)F)cs1.
What is the InChIKey of N-methoxy-N-methyl-4-(trifluoromethyl)thiophene-2-carboxamide?
The InChIKey is OHPLFWTZXGVXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2S/c1-12(14-2)7(13)6-3-5(4-15-6)8(9,10)11/h3-4H,1-2H3.
What are the key properties of N-methoxy-N-methyl-4-(trifluoromethyl)thiophene-2-carboxamide?
N-methoxy-N-methyl-4-(trifluoromethyl)thiophene-2-carboxamide has a molecular weight of 239.22 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-4-(trifluoromethyl)thiophene-2-carboxamide is sourced from PubChem (CID 156842609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).