N-[(2-thiophen-3-ylphenyl)methyl]prop-2-ynamide

C14H11NOS — CID 90596997

IUPACN-[(2-thiophen-3-ylphenyl)methyl]prop-2-ynamide
SMILESC#CC(=O)NCc1ccccc1-c1ccsc1
InChIInChI=1S/C14H11NOS/c1-2-14(16)15-9-11-5-3-4-6-13(11)12-7-8-17-10-12/h1,3-8,10H,9H2,(H,15,16)
InChIKeyGSEXGOWSPJAFNS-UHFFFAOYSA-N
MW241.32 g/mol
LogP2.66
Rot. Bonds3

About N-[(2-thiophen-3-ylphenyl)methyl]prop-2-ynamide

N-[(2-thiophen-3-ylphenyl)methyl]prop-2-ynamide (PubChem CID 90596997) has the molecular formula C14H11NOS and a molecular weight of 241.32 g/mol. Its IUPAC name is N-[(2-thiophen-3-ylphenyl)methyl]prop-2-ynamide.

Molecular Properties

Compound NameN-[(2-thiophen-3-ylphenyl)methyl]prop-2-ynamide
PubChem CID90596997
Molecular FormulaC14H11NOS
Molecular Weight241.32 g/mol
Exact Mass241.06
IUPAC NameN-[(2-thiophen-3-ylphenyl)methyl]prop-2-ynamide
SMILESC#CC(=O)NCc1ccccc1-c1ccsc1
InChIInChI=1S/C14H11NOS/c1-2-14(16)15-9-11-5-3-4-6-13(11)12-7-8-17-10-12/h1,3-8,10H,9H2,(H,15,16)
InChIKeyGSEXGOWSPJAFNS-UHFFFAOYSA-N
XLogP2.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2-thiophen-3-ylphenyl)methyl]prop-2-ynamide 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

1-(2-chlorophenyl)-3-[(2-thiophen-3-ylphenyl)methyl]urea
CID 71809975
2-thiophen-2-yl-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
CID 71809924
3-phenyl-N-[(2-thiophen-3-ylphenyl)methyl]propanamide
CID 90596831
2-(4-chlorophenyl)-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
CID 90596848
2,4,6-trimethyl-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 90596839
N-[(2-thiophen-3-ylphenyl)methyl]undecanamide
CID 90596958
4-(4-fluorophenyl)-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 90596881
5-bromo-N-[(2-thiophen-3-ylphenyl)methyl]furan-2-carboxamide
CID 90597008
2-(4-ethoxyphenyl)-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
CID 71809931
2-ethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 90596843
3,4-dimethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 90596857
methyl 3-(2-thiophen-3-ylphenyl)propanoate
CID 70967888

Frequently Asked Questions

What is the IUPAC name of N-[(2-thiophen-3-ylphenyl)methyl]prop-2-ynamide?
The IUPAC name of N-[(2-thiophen-3-ylphenyl)methyl]prop-2-ynamide (CID 90596997) is N-[(2-thiophen-3-ylphenyl)methyl]prop-2-ynamide.
What is the SMILES notation for N-[(2-thiophen-3-ylphenyl)methyl]prop-2-ynamide?
The canonical SMILES for N-[(2-thiophen-3-ylphenyl)methyl]prop-2-ynamide is C#CC(=O)NCc1ccccc1-c1ccsc1.
What is the InChIKey of N-[(2-thiophen-3-ylphenyl)methyl]prop-2-ynamide?
The InChIKey is GSEXGOWSPJAFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NOS/c1-2-14(16)15-9-11-5-3-4-6-13(11)12-7-8-17-10-12/h1,3-8,10H,9H2,(H,15,16).
What are the key properties of N-[(2-thiophen-3-ylphenyl)methyl]prop-2-ynamide?
N-[(2-thiophen-3-ylphenyl)methyl]prop-2-ynamide has a molecular weight of 241.32 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-thiophen-3-ylphenyl)methyl]prop-2-ynamide is sourced from PubChem (CID 90596997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).