2-chloro-N-(2-methoxyethyl)-N-(2-methyl-1-thiophen-2-ylprop-1-enyl)acetamide

C13H18ClNO2S — CID 15137847

IUPAC2-chloro-N-(2-methoxyethyl)-N-(2-methyl-1-thiophen-2-ylprop-1-enyl)acetamide
SMILESCOCCN(C(=O)CCl)C(=C(C)C)c1cccs1
InChIInChI=1S/C13H18ClNO2S/c1-10(2)13(11-5-4-8-18-11)15(6-7-17-3)12(16)9-14/h4-5,8H,6-7,9H2,1-3H3
InChIKeyMLNRMZLTEYBFKQ-UHFFFAOYSA-N
MW287.81 g/mol
LogP3.21
Rot. Bonds6

About 2-chloro-N-(2-methoxyethyl)-N-(2-methyl-1-thiophen-2-ylprop-1-enyl)acetamide

2-chloro-N-(2-methoxyethyl)-N-(2-methyl-1-thiophen-2-ylprop-1-enyl)acetamide (PubChem CID 15137847) has the molecular formula C13H18ClNO2S and a molecular weight of 287.81 g/mol. Its IUPAC name is 2-chloro-N-(2-methoxyethyl)-N-(2-methyl-1-thiophen-2-ylprop-1-enyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2-methoxyethyl)-N-(2-methyl-1-thiophen-2-ylprop-1-enyl)acetamide
PubChem CID15137847
Molecular FormulaC13H18ClNO2S
Molecular Weight287.81 g/mol
Exact Mass287.07
IUPAC Name2-chloro-N-(2-methoxyethyl)-N-(2-methyl-1-thiophen-2-ylprop-1-enyl)acetamide
SMILESCOCCN(C(=O)CCl)C(=C(C)C)c1cccs1
InChIInChI=1S/C13H18ClNO2S/c1-10(2)13(11-5-4-8-18-11)15(6-7-17-3)12(16)9-14/h4-5,8H,6-7,9H2,1-3H3
InChIKeyMLNRMZLTEYBFKQ-UHFFFAOYSA-N
XLogP3.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2-methoxyethyl)-N-(2-methyl-1-thiophen-2-ylprop-1-enyl)acetamide?
The IUPAC name of 2-chloro-N-(2-methoxyethyl)-N-(2-methyl-1-thiophen-2-ylprop-1-enyl)acetamide (CID 15137847) is 2-chloro-N-(2-methoxyethyl)-N-(2-methyl-1-thiophen-2-ylprop-1-enyl)acetamide.
What is the SMILES notation for 2-chloro-N-(2-methoxyethyl)-N-(2-methyl-1-thiophen-2-ylprop-1-enyl)acetamide?
The canonical SMILES for 2-chloro-N-(2-methoxyethyl)-N-(2-methyl-1-thiophen-2-ylprop-1-enyl)acetamide is COCCN(C(=O)CCl)C(=C(C)C)c1cccs1.
What is the InChIKey of 2-chloro-N-(2-methoxyethyl)-N-(2-methyl-1-thiophen-2-ylprop-1-enyl)acetamide?
The InChIKey is MLNRMZLTEYBFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2S/c1-10(2)13(11-5-4-8-18-11)15(6-7-17-3)12(16)9-14/h4-5,8H,6-7,9H2,1-3H3.
What are the key properties of 2-chloro-N-(2-methoxyethyl)-N-(2-methyl-1-thiophen-2-ylprop-1-enyl)acetamide?
2-chloro-N-(2-methoxyethyl)-N-(2-methyl-1-thiophen-2-ylprop-1-enyl)acetamide has a molecular weight of 287.81 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methoxyethyl)-N-(2-methyl-1-thiophen-2-ylprop-1-enyl)acetamide is sourced from PubChem (CID 15137847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).