2-chloro-N-(2-oxo-2-thiophen-2-ylethyl)acetamide

C8H8ClNO2S — CID 22009835

IUPAC2-chloro-N-(2-oxo-2-thiophen-2-ylethyl)acetamide
SMILESO=C(CCl)NCC(=O)c1cccs1
InChIInChI=1S/C8H8ClNO2S/c9-4-8(12)10-5-6(11)7-2-1-3-13-7/h1-3H,4-5H2,(H,10,12)
InChIKeyDYAYRHYBDDIRTD-UHFFFAOYSA-N
MW217.68 g/mol
LogP1.29
Rot. Bonds4

About 2-chloro-N-(2-oxo-2-thiophen-2-ylethyl)acetamide

2-chloro-N-(2-oxo-2-thiophen-2-ylethyl)acetamide (PubChem CID 22009835) has the molecular formula C8H8ClNO2S and a molecular weight of 217.68 g/mol. Its IUPAC name is 2-chloro-N-(2-oxo-2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2-oxo-2-thiophen-2-ylethyl)acetamide
PubChem CID22009835
Molecular FormulaC8H8ClNO2S
Molecular Weight217.68 g/mol
Exact Mass217.00
IUPAC Name2-chloro-N-(2-oxo-2-thiophen-2-ylethyl)acetamide
SMILESO=C(CCl)NCC(=O)c1cccs1
InChIInChI=1S/C8H8ClNO2S/c9-4-8(12)10-5-6(11)7-2-1-3-13-7/h1-3H,4-5H2,(H,10,12)
InChIKeyDYAYRHYBDDIRTD-UHFFFAOYSA-N
XLogP1.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.68
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-((5-(2-chloroacetyl)thiophen-2-yl)methyl)acetamide
CID 4962027
2-(Cycloheptylamino)-1-thiophen-2-ylethanone;hydrochloride
CID 12006222
N-((5-(2-chloroacetyl)thiophen-2-yl)methyl)-2,2-dimethylpropanamide
CID 2560371
2-chloro-N-[2-(thiophen-2-yl)ethyl]propanamide
CID 4962340
N-{2-[5-(2-chloroacetyl)thiophen-2-yl]ethyl}acetamide
CID 7131623
N-{[5-(2-chloropropanoyl)thiophen-2-yl]methyl}acetamide
CID 16226822
1-Pyrrolidin-1-yl-2-thiophen-2-ylethane-1,2-dione
CID 82113202
NaMethylaNa[1aoxoa1a(thiophena2ayl)propana2ayl]acetamide
CID 165362140
2-Thiothinone hydrochloride
CID 12198618
N-[(5-acetylthiophen-3-yl)methyl]-2-chloroacetamide
CID 827559
5-(N-chloroacetylamino)methyl-2-thiophenealdehyde
CID 13611588
5-(N-chloroacetylamino)methyl-2-acetylthiophene
CID 13611589

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-oxo-2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-chloro-N-(2-oxo-2-thiophen-2-ylethyl)acetamide (CID 22009835) is 2-chloro-N-(2-oxo-2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-chloro-N-(2-oxo-2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-chloro-N-(2-oxo-2-thiophen-2-ylethyl)acetamide is O=C(CCl)NCC(=O)c1cccs1.
What is the InChIKey of 2-chloro-N-(2-oxo-2-thiophen-2-ylethyl)acetamide?
The InChIKey is DYAYRHYBDDIRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO2S/c9-4-8(12)10-5-6(11)7-2-1-3-13-7/h1-3H,4-5H2,(H,10,12).
What are the key properties of 2-chloro-N-(2-oxo-2-thiophen-2-ylethyl)acetamide?
2-chloro-N-(2-oxo-2-thiophen-2-ylethyl)acetamide has a molecular weight of 217.68 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-oxo-2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 22009835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).