N-[4-(2-thiophen-3-ylethynyl)phenyl]acetamide

C14H11NOS — CID 67328052

IUPACN-[4-(2-thiophen-3-ylethynyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C#Cc2ccsc2)cc1
InChIInChI=1S/C14H11NOS/c1-11(16)15-14-6-4-12(5-7-14)2-3-13-8-9-17-10-13/h4-10H,1H3,(H,15,16)
InChIKeyVXWDGFGVIMRENV-UHFFFAOYSA-N
MW241.31 g/mol
LogP3.11
Rot. Bonds1

About N-[4-(2-thiophen-3-ylethynyl)phenyl]acetamide

N-[4-(2-thiophen-3-ylethynyl)phenyl]acetamide (PubChem CID 67328052) has the molecular formula C14H11NOS and a molecular weight of 241.31 g/mol. Its IUPAC name is N-[4-(2-thiophen-3-ylethynyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-thiophen-3-ylethynyl)phenyl]acetamide
PubChem CID67328052
Molecular FormulaC14H11NOS
Molecular Weight241.31 g/mol
Exact Mass241.06
IUPAC NameN-[4-(2-thiophen-3-ylethynyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C#Cc2ccsc2)cc1
InChIInChI=1S/C14H11NOS/c1-11(16)15-14-6-4-12(5-7-14)2-3-13-8-9-17-10-13/h4-10H,1H3,(H,15,16)
InChIKeyVXWDGFGVIMRENV-UHFFFAOYSA-N
XLogP3.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-but-3-en-1-ynylphenyl)acetamide
CID 129168010
N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 60804040
N-[3-(4-acetamidophenyl)prop-2-ynyl]-4-methylbenzamide
CID 90551549
4-[3-[(4-acetamidobenzoyl)amino]prop-1-ynyl]benzamide
CID 90549691
1-hydroxy-1-[1-[4-(2-thiophen-3-ylethynyl)phenyl]ethyl]urea
CID 15181444
N-[4-[2-(2,4-diaminophenyl)ethynyl]phenyl]acetamide
CID 163487445
N-(4-hydroxyphenyl)acetamide;dihydrate
CID 140999210
N-(4-hydroxyphenyl)acetamide;iron
CID 69304461
N-[4-[2-[4-[(hydrazinecarbonylamino)methyl]phenyl]ethynyl]phenyl]acetamide
CID 151828109
N-[3-(4-acetamidophenyl)prop-2-ynyl]propanamide
CID 90551520
N-[4-[2-(thiophen-3-ylmethylamino)ethyl]phenyl]acetamide
CID 56825547
bis(N-(4-hydroxyphenyl)acetamide);zirconium(2+);dichloride
CID 174353959

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-thiophen-3-ylethynyl)phenyl]acetamide?
The IUPAC name of N-[4-(2-thiophen-3-ylethynyl)phenyl]acetamide (CID 67328052) is N-[4-(2-thiophen-3-ylethynyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(2-thiophen-3-ylethynyl)phenyl]acetamide?
The canonical SMILES for N-[4-(2-thiophen-3-ylethynyl)phenyl]acetamide is CC(=O)Nc1ccc(C#Cc2ccsc2)cc1.
What is the InChIKey of N-[4-(2-thiophen-3-ylethynyl)phenyl]acetamide?
The InChIKey is VXWDGFGVIMRENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NOS/c1-11(16)15-14-6-4-12(5-7-14)2-3-13-8-9-17-10-13/h4-10H,1H3,(H,15,16).
What are the key properties of N-[4-(2-thiophen-3-ylethynyl)phenyl]acetamide?
N-[4-(2-thiophen-3-ylethynyl)phenyl]acetamide has a molecular weight of 241.31 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-thiophen-3-ylethynyl)phenyl]acetamide is sourced from PubChem (CID 67328052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).