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

C17H11NOS2 — CID 30395696

IUPACN-[3-(2-thiophen-2-ylethynyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(C#Cc2cccs2)c1)c1cccs1
InChIInChI=1S/C17H11NOS2/c19-17(16-7-3-11-21-16)18-14-5-1-4-13(12-14)8-9-15-6-2-10-20-15/h1-7,10-12H,(H,18,19)
InChIKeyRZMJVHMRFPFGSC-UHFFFAOYSA-N
MW309.42 g/mol
LogP4.46
Rot. Bonds2

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

N-[3-(2-thiophen-2-ylethynyl)phenyl]thiophene-2-carboxamide (PubChem CID 30395696) has the molecular formula C17H11NOS2 and a molecular weight of 309.42 g/mol. Its IUPAC name is N-[3-(2-thiophen-2-ylethynyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-thiophen-2-ylethynyl)phenyl]thiophene-2-carboxamide
PubChem CID30395696
Molecular FormulaC17H11NOS2
Molecular Weight309.42 g/mol
Exact Mass309.03
IUPAC NameN-[3-(2-thiophen-2-ylethynyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(C#Cc2cccs2)c1)c1cccs1
InChIInChI=1S/C17H11NOS2/c19-17(16-7-3-11-21-16)18-14-5-1-4-13(12-14)8-9-15-6-2-10-20-15/h1-7,10-12H,(H,18,19)
InChIKeyRZMJVHMRFPFGSC-UHFFFAOYSA-N
XLogP4.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzene-1,4-dicarboxamide
CID 35230362
4-acetamido-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide
CID 30594161
3-methyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]thiophene-2-carboxamide
CID 30694090
2-bromo-4-fluoro-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide
CID 22829930
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-[2-oxo-2-[3-(2-thiophen-2-ylethynyl)anilino]ethyl]-2-phenylacetamide
CID 35230081
3-(diethylsulfamoyl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide
CID 30594167
2-acetamido-3-methyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]butanamide
CID 46536057
2-(2-fluorophenyl)sulfanyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]acetamide
CID 30769927
N-[3-(2-thiophen-2-ylethynyl)phenyl]-2-(trifluoromethyl)benzenesulfonamide
CID 24650347
N-[3-(2-thiophen-2-ylethynyl)phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 18208686

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-thiophen-2-ylethynyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(2-thiophen-2-ylethynyl)phenyl]thiophene-2-carboxamide (CID 30395696) is N-[3-(2-thiophen-2-ylethynyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(2-thiophen-2-ylethynyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(2-thiophen-2-ylethynyl)phenyl]thiophene-2-carboxamide is O=C(Nc1cccc(C#Cc2cccs2)c1)c1cccs1.
What is the InChIKey of N-[3-(2-thiophen-2-ylethynyl)phenyl]thiophene-2-carboxamide?
The InChIKey is RZMJVHMRFPFGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NOS2/c19-17(16-7-3-11-21-16)18-14-5-1-4-13(12-14)8-9-15-6-2-10-20-15/h1-7,10-12H,(H,18,19).
What are the key properties of N-[3-(2-thiophen-2-ylethynyl)phenyl]thiophene-2-carboxamide?
N-[3-(2-thiophen-2-ylethynyl)phenyl]thiophene-2-carboxamide has a molecular weight of 309.42 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-thiophen-2-ylethynyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 30395696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).