3-methyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]thiophene-2-carboxamide

C18H13NOS2 — CID 30694090

IUPAC3-methyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1cccc(C#Cc2cccs2)c1
InChIInChI=1S/C18H13NOS2/c1-13-9-11-22-17(13)18(20)19-15-5-2-4-14(12-15)7-8-16-6-3-10-21-16/h2-6,9-12H,1H3,(H,19,20)
InChIKeyFYPLBWCTBJMCNN-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.77
Rot. Bonds2

About 3-methyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]thiophene-2-carboxamide

3-methyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]thiophene-2-carboxamide (PubChem CID 30694090) has the molecular formula C18H13NOS2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 3-methyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]thiophene-2-carboxamide
PubChem CID30694090
Molecular FormulaC18H13NOS2
Molecular Weight323.44 g/mol
Exact Mass323.04
IUPAC Name3-methyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1cccc(C#Cc2cccs2)c1
InChIInChI=1S/C18H13NOS2/c1-13-9-11-22-17(13)18(20)19-15-5-2-4-14(12-15)7-8-16-6-3-10-21-16/h2-6,9-12H,1H3,(H,19,20)
InChIKeyFYPLBWCTBJMCNN-UHFFFAOYSA-N
XLogP4.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]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

Related Compounds

N-[3-(2-thiophen-2-ylethynyl)phenyl]thiophene-2-carboxamide
CID 30395696
4-acetamido-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide
CID 30594161
4-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzene-1,4-dicarboxamide
CID 35230362
2-sulfanylidene-N-[3-(2-thiophen-2-ylethynyl)phenyl]-1H-pyridine-3-carboxamide
CID 46536140
(2S)-2-methyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]butanamide
CID 33025180
N-(3-bromophenyl)-3-methylthiophene-2-carboxamide
CID 3480316
3-(diethylsulfamoyl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide
CID 30594167
N-[2-oxo-2-[3-(2-thiophen-2-ylethynyl)anilino]ethyl]-2-phenylacetamide
CID 35230081
2-bromo-4-fluoro-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide
CID 22829930
2-acetamido-3-methyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]butanamide
CID 46536057
3-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 7900704
3-methyl-N-pyridin-4-ylthiophene-2-carboxamide
CID 30388319

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]thiophene-2-carboxamide (CID 30694090) is 3-methyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]thiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1cccc(C#Cc2cccs2)c1.
What is the InChIKey of 3-methyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]thiophene-2-carboxamide?
The InChIKey is FYPLBWCTBJMCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NOS2/c1-13-9-11-22-17(13)18(20)19-15-5-2-4-14(12-15)7-8-16-6-3-10-21-16/h2-6,9-12H,1H3,(H,19,20).
What are the key properties of 3-methyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]thiophene-2-carboxamide?
3-methyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]thiophene-2-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 30694090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).