2-chloro-N-(2,4-dimethylthiophen-3-yl)-2-ethoxyacetamide

C10H14ClNO2S — CID 67579331

IUPAC2-chloro-N-(2,4-dimethylthiophen-3-yl)-2-ethoxyacetamide
SMILESCCOC(Cl)C(=O)Nc1c(C)csc1C
InChIInChI=1S/C10H14ClNO2S/c1-4-14-9(11)10(13)12-8-6(2)5-15-7(8)3/h5,9H,4H2,1-3H3,(H,12,13)
InChIKeyABUPJJIUTANZHD-UHFFFAOYSA-N
MW247.75 g/mol
LogP2.90
Rot. Bonds4

About 2-chloro-N-(2,4-dimethylthiophen-3-yl)-2-ethoxyacetamide

2-chloro-N-(2,4-dimethylthiophen-3-yl)-2-ethoxyacetamide (PubChem CID 67579331) has the molecular formula C10H14ClNO2S and a molecular weight of 247.75 g/mol. Its IUPAC name is 2-chloro-N-(2,4-dimethylthiophen-3-yl)-2-ethoxyacetamide.

Molecular Properties

Compound Name2-chloro-N-(2,4-dimethylthiophen-3-yl)-2-ethoxyacetamide
PubChem CID67579331
Molecular FormulaC10H14ClNO2S
Molecular Weight247.75 g/mol
Exact Mass247.04
IUPAC Name2-chloro-N-(2,4-dimethylthiophen-3-yl)-2-ethoxyacetamide
SMILESCCOC(Cl)C(=O)Nc1c(C)csc1C
InChIInChI=1S/C10H14ClNO2S/c1-4-14-9(11)10(13)12-8-6(2)5-15-7(8)3/h5,9H,4H2,1-3H3,(H,12,13)
InChIKeyABUPJJIUTANZHD-UHFFFAOYSA-N
XLogP2.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 52.90
H-Bond Donors ≤ 51
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-(2,4-dimethylthiophen-3-yl)-2-ethoxyacetamide?
The IUPAC name of 2-chloro-N-(2,4-dimethylthiophen-3-yl)-2-ethoxyacetamide (CID 67579331) is 2-chloro-N-(2,4-dimethylthiophen-3-yl)-2-ethoxyacetamide.
What is the SMILES notation for 2-chloro-N-(2,4-dimethylthiophen-3-yl)-2-ethoxyacetamide?
The canonical SMILES for 2-chloro-N-(2,4-dimethylthiophen-3-yl)-2-ethoxyacetamide is CCOC(Cl)C(=O)Nc1c(C)csc1C.
What is the InChIKey of 2-chloro-N-(2,4-dimethylthiophen-3-yl)-2-ethoxyacetamide?
The InChIKey is ABUPJJIUTANZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2S/c1-4-14-9(11)10(13)12-8-6(2)5-15-7(8)3/h5,9H,4H2,1-3H3,(H,12,13).
What are the key properties of 2-chloro-N-(2,4-dimethylthiophen-3-yl)-2-ethoxyacetamide?
2-chloro-N-(2,4-dimethylthiophen-3-yl)-2-ethoxyacetamide has a molecular weight of 247.75 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,4-dimethylthiophen-3-yl)-2-ethoxyacetamide is sourced from PubChem (CID 67579331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).