N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxyacetamide

C9H12ClNO2S — CID 51082907

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxyacetamide
SMILESCOCC(=O)NCCc1ccc(Cl)s1
InChIInChI=1S/C9H12ClNO2S/c1-13-6-9(12)11-5-4-7-2-3-8(10)14-7/h2-3H,4-6H2,1H3,(H,11,12)
InChIKeyBTCVAIJCVBUMCW-UHFFFAOYSA-N
MW233.72 g/mol
LogP1.71
Rot. Bonds5

About N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxyacetamide

N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxyacetamide (PubChem CID 51082907) has the molecular formula C9H12ClNO2S and a molecular weight of 233.72 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxyacetamide
PubChem CID51082907
Molecular FormulaC9H12ClNO2S
Molecular Weight233.72 g/mol
Exact Mass233.03
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxyacetamide
SMILESCOCC(=O)NCCc1ccc(Cl)s1
InChIInChI=1S/C9H12ClNO2S/c1-13-6-9(12)11-5-4-7-2-3-8(10)14-7/h2-3H,4-6H2,1H3,(H,11,12)
InChIKeyBTCVAIJCVBUMCW-UHFFFAOYSA-N
XLogP1.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.72
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-N-[2-(5-iodothiophen-2-yl)ethyl]acetamide
CID 53546996
N-[2-(5-iodothiophen-2-yl)ethyl]-2-methoxyacetamide
CID 53561842
N-[(S)-1-methyl-2-(2-thienyl)ethyl]ethoxyacetamide
CID 51894986
N-[(5-chlorothiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 45893374
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylpropanamide
CID 47043521
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methoxyacetamide
CID 51075904
1-[2-(5-Chlorothiophen-2-yl)ethyl]-3-[2-(2,2,2-trifluoroethoxy)ethyl]urea
CID 78889622
N-[(5-chlorothiophen-2-yl)methyl]acetamide
CID 60740897
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 86990375
2-(5-chlorothiophen-2-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 106046662
N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-difluoroacetamide
CID 107167911
2-(5-chlorothiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 114140396

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxyacetamide?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxyacetamide (CID 51082907) is N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxyacetamide.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxyacetamide?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxyacetamide is COCC(=O)NCCc1ccc(Cl)s1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxyacetamide?
The InChIKey is BTCVAIJCVBUMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO2S/c1-13-6-9(12)11-5-4-7-2-3-8(10)14-7/h2-3H,4-6H2,1H3,(H,11,12).
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxyacetamide?
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxyacetamide has a molecular weight of 233.72 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxyacetamide is sourced from PubChem (CID 51082907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).