3-(3-chlorophenyl)-N-methyl-N-(2-thiophen-2-ylethyl)prop-2-ynamide

C16H14ClNOS — CID 68941168

IUPAC3-(3-chlorophenyl)-N-methyl-N-(2-thiophen-2-ylethyl)prop-2-ynamide
SMILESCN(CCc1cccs1)C(=O)C#Cc1cccc(Cl)c1
InChIInChI=1S/C16H14ClNOS/c1-18(10-9-15-6-3-11-20-15)16(19)8-7-13-4-2-5-14(17)12-13/h2-6,11-12H,9-10H2,1H3
InChIKeyOXAPNIYJXWMXHX-UHFFFAOYSA-N
MW303.81 g/mol
LogP3.45
Rot. Bonds3

About 3-(3-chlorophenyl)-N-methyl-N-(2-thiophen-2-ylethyl)prop-2-ynamide

3-(3-chlorophenyl)-N-methyl-N-(2-thiophen-2-ylethyl)prop-2-ynamide (PubChem CID 68941168) has the molecular formula C16H14ClNOS and a molecular weight of 303.81 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-methyl-N-(2-thiophen-2-ylethyl)prop-2-ynamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-methyl-N-(2-thiophen-2-ylethyl)prop-2-ynamide
PubChem CID68941168
Molecular FormulaC16H14ClNOS
Molecular Weight303.81 g/mol
Exact Mass303.05
IUPAC Name3-(3-chlorophenyl)-N-methyl-N-(2-thiophen-2-ylethyl)prop-2-ynamide
SMILESCN(CCc1cccs1)C(=O)C#Cc1cccc(Cl)c1
InChIInChI=1S/C16H14ClNOS/c1-18(10-9-15-6-3-11-20-15)16(19)8-7-13-4-2-5-14(17)12-13/h2-6,11-12H,9-10H2,1H3
InChIKeyOXAPNIYJXWMXHX-UHFFFAOYSA-N
XLogP3.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(3-chlorophenyl)-N-methyl-N-(2-thiophen-2-ylethyl)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

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-methyl-N-(2-thiophen-2-ylethyl)prop-2-ynamide?
The IUPAC name of 3-(3-chlorophenyl)-N-methyl-N-(2-thiophen-2-ylethyl)prop-2-ynamide (CID 68941168) is 3-(3-chlorophenyl)-N-methyl-N-(2-thiophen-2-ylethyl)prop-2-ynamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-methyl-N-(2-thiophen-2-ylethyl)prop-2-ynamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-methyl-N-(2-thiophen-2-ylethyl)prop-2-ynamide is CN(CCc1cccs1)C(=O)C#Cc1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-N-methyl-N-(2-thiophen-2-ylethyl)prop-2-ynamide?
The InChIKey is OXAPNIYJXWMXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNOS/c1-18(10-9-15-6-3-11-20-15)16(19)8-7-13-4-2-5-14(17)12-13/h2-6,11-12H,9-10H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-N-methyl-N-(2-thiophen-2-ylethyl)prop-2-ynamide?
3-(3-chlorophenyl)-N-methyl-N-(2-thiophen-2-ylethyl)prop-2-ynamide has a molecular weight of 303.81 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-methyl-N-(2-thiophen-2-ylethyl)prop-2-ynamide is sourced from PubChem (CID 68941168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).