[2-(2-chloroanilino)-2-oxoethyl] thiophene-2-carboxylate

C13H10ClNO3S — CID 724478

IUPAC[2-(2-chloroanilino)-2-oxoethyl] thiophene-2-carboxylate
SMILESO=C(COC(=O)c1cccs1)Nc1ccccc1Cl
InChIInChI=1S/C13H10ClNO3S/c14-9-4-1-2-5-10(9)15-12(16)8-18-13(17)11-6-3-7-19-11/h1-7H,8H2,(H,15,16)
InChIKeyXSQUDSZIUWVKHG-UHFFFAOYSA-N
MW295.75 g/mol
LogP3.20
Rot. Bonds4

About [2-(2-chloroanilino)-2-oxoethyl] thiophene-2-carboxylate

[2-(2-chloroanilino)-2-oxoethyl] thiophene-2-carboxylate (PubChem CID 724478) has the molecular formula C13H10ClNO3S and a molecular weight of 295.75 g/mol. Its IUPAC name is [2-(2-chloroanilino)-2-oxoethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(2-chloroanilino)-2-oxoethyl] thiophene-2-carboxylate
PubChem CID724478
Molecular FormulaC13H10ClNO3S
Molecular Weight295.75 g/mol
Exact Mass295.01
IUPAC Name[2-(2-chloroanilino)-2-oxoethyl] thiophene-2-carboxylate
SMILESO=C(COC(=O)c1cccs1)Nc1ccccc1Cl
InChIInChI=1S/C13H10ClNO3S/c14-9-4-1-2-5-10(9)15-12(16)8-18-13(17)11-6-3-7-19-11/h1-7H,8H2,(H,15,16)
InChIKeyXSQUDSZIUWVKHG-UHFFFAOYSA-N
XLogP3.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-Chlorophenyl)amino]-2-oxoethyl thiophen-3-ylacetate
CID 2078588
2-[(2-Chlorophenyl)amino]-2-oxoethyl thiophen-3-ylacetate
CID 2337009
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 2347770
[(3-Fluorophenyl)carbamoyl]methyl 3-methylthiophene-2-carboxylate
CID 2502269
[2-[[2-(2-Chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-nitrothiophene-2-carboxylate
CID 4845688
[2-(3-Chloroanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 1679565
[2-(2-chloroanilino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 2342876
2-[[4-(Acetylamino)phenyl]amino]-2-oxoethyl 5-methyl-2-thiophenecarboxylate
CID 2378830
[2-[4-[Ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] thiophene-2-carboxylate
CID 2413185
[2-[2-Chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2482985
[2-(2-Chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 3893296
[2-[4-Chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 4544371

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloroanilino)-2-oxoethyl] thiophene-2-carboxylate?
The IUPAC name of [2-(2-chloroanilino)-2-oxoethyl] thiophene-2-carboxylate (CID 724478) is [2-(2-chloroanilino)-2-oxoethyl] thiophene-2-carboxylate.
What is the SMILES notation for [2-(2-chloroanilino)-2-oxoethyl] thiophene-2-carboxylate?
The canonical SMILES for [2-(2-chloroanilino)-2-oxoethyl] thiophene-2-carboxylate is O=C(COC(=O)c1cccs1)Nc1ccccc1Cl.
What is the InChIKey of [2-(2-chloroanilino)-2-oxoethyl] thiophene-2-carboxylate?
The InChIKey is XSQUDSZIUWVKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO3S/c14-9-4-1-2-5-10(9)15-12(16)8-18-13(17)11-6-3-7-19-11/h1-7H,8H2,(H,15,16).
What are the key properties of [2-(2-chloroanilino)-2-oxoethyl] thiophene-2-carboxylate?
[2-(2-chloroanilino)-2-oxoethyl] thiophene-2-carboxylate has a molecular weight of 295.75 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloroanilino)-2-oxoethyl] thiophene-2-carboxylate is sourced from PubChem (CID 724478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).