N-benzyl-3-thiophen-2-ylprop-2-ynamide

C14H11NOS — CID 50917909

IUPACN-benzyl-3-thiophen-2-ylprop-2-ynamide
SMILESO=C(C#Cc1cccs1)NCc1ccccc1
InChIInChI=1S/C14H11NOS/c16-14(9-8-13-7-4-10-17-13)15-11-12-5-2-1-3-6-12/h1-7,10H,11H2,(H,15,16)
InChIKeyKFJSCHMGNOFOMG-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.42
Rot. Bonds2

About N-benzyl-3-thiophen-2-ylprop-2-ynamide

N-benzyl-3-thiophen-2-ylprop-2-ynamide (PubChem CID 50917909) has the molecular formula C14H11NOS and a molecular weight of 241.31 g/mol. Its IUPAC name is N-benzyl-3-thiophen-2-ylprop-2-ynamide.

Molecular Properties

Compound NameN-benzyl-3-thiophen-2-ylprop-2-ynamide
PubChem CID50917909
Molecular FormulaC14H11NOS
Molecular Weight241.31 g/mol
Exact Mass241.06
IUPAC NameN-benzyl-3-thiophen-2-ylprop-2-ynamide
SMILESO=C(C#Cc1cccs1)NCc1ccccc1
InChIInChI=1S/C14H11NOS/c16-14(9-8-13-7-4-10-17-13)15-11-12-5-2-1-3-6-12/h1-7,10H,11H2,(H,15,16)
InChIKeyKFJSCHMGNOFOMG-UHFFFAOYSA-N
XLogP2.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-thiophen-2-ylprop-2-ynamide?
The IUPAC name of N-benzyl-3-thiophen-2-ylprop-2-ynamide (CID 50917909) is N-benzyl-3-thiophen-2-ylprop-2-ynamide.
What is the SMILES notation for N-benzyl-3-thiophen-2-ylprop-2-ynamide?
The canonical SMILES for N-benzyl-3-thiophen-2-ylprop-2-ynamide is O=C(C#Cc1cccs1)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-thiophen-2-ylprop-2-ynamide?
The InChIKey is KFJSCHMGNOFOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NOS/c16-14(9-8-13-7-4-10-17-13)15-11-12-5-2-1-3-6-12/h1-7,10H,11H2,(H,15,16).
What are the key properties of N-benzyl-3-thiophen-2-ylprop-2-ynamide?
N-benzyl-3-thiophen-2-ylprop-2-ynamide has a molecular weight of 241.31 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-thiophen-2-ylprop-2-ynamide is sourced from PubChem (CID 50917909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).