2-chloro-N-methyl-N-(thiophen-2-ylmethyl)acetamide

C8H10ClNOS — CID 2543182

IUPAC2-chloro-N-methyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(Cc1cccs1)C(=O)CCl
InChIInChI=1S/C8H10ClNOS/c1-10(8(11)5-9)6-7-3-2-4-12-7/h2-4H,5-6H2,1H3
InChIKeyWHLFGXOMONJIPJ-UHFFFAOYSA-N
MW203.69 g/mol
LogP1.95
Rot. Bonds3

About 2-chloro-N-methyl-N-(thiophen-2-ylmethyl)acetamide

2-chloro-N-methyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 2543182) has the molecular formula C8H10ClNOS and a molecular weight of 203.69 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID2543182
Molecular FormulaC8H10ClNOS
Molecular Weight203.69 g/mol
Exact Mass203.02
IUPAC Name2-chloro-N-methyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(Cc1cccs1)C(=O)CCl
InChIInChI=1S/C8H10ClNOS/c1-10(8(11)5-9)6-7-3-2-4-12-7/h2-4H,5-6H2,1H3
InChIKeyWHLFGXOMONJIPJ-UHFFFAOYSA-N
XLogP1.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.69
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-chloro-N-methyl-N-(thiophen-2-ylmethyl)acetamide (CID 2543182) is 2-chloro-N-methyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-chloro-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-chloro-N-methyl-N-(thiophen-2-ylmethyl)acetamide is CN(Cc1cccs1)C(=O)CCl.
What is the InChIKey of 2-chloro-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is WHLFGXOMONJIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNOS/c1-10(8(11)5-9)6-7-3-2-4-12-7/h2-4H,5-6H2,1H3.
What are the key properties of 2-chloro-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
2-chloro-N-methyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 203.69 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 2543182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).