4-[2-(2-chloroanilino)-2-oxoethoxy]thiophene-2-carboxylic acid

C13H10ClNO4S — CID 66439097

IUPAC4-[2-(2-chloroanilino)-2-oxoethoxy]thiophene-2-carboxylic acid
SMILESO=C(COc1csc(C(=O)O)c1)Nc1ccccc1Cl
InChIInChI=1S/C13H10ClNO4S/c14-9-3-1-2-4-10(9)15-12(16)6-19-8-5-11(13(17)18)20-7-8/h1-5,7H,6H2,(H,15,16)(H,17,18)
InChIKeyRRYYYYDRBFPKKQ-UHFFFAOYSA-N
MW311.75 g/mol
LogP3.12
Rot. Bonds5

About 4-[2-(2-chloroanilino)-2-oxoethoxy]thiophene-2-carboxylic acid

4-[2-(2-chloroanilino)-2-oxoethoxy]thiophene-2-carboxylic acid (PubChem CID 66439097) has the molecular formula C13H10ClNO4S and a molecular weight of 311.75 g/mol. Its IUPAC name is 4-[2-(2-chloroanilino)-2-oxoethoxy]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2-chloroanilino)-2-oxoethoxy]thiophene-2-carboxylic acid
PubChem CID66439097
Molecular FormulaC13H10ClNO4S
Molecular Weight311.75 g/mol
Exact Mass311.00
IUPAC Name4-[2-(2-chloroanilino)-2-oxoethoxy]thiophene-2-carboxylic acid
SMILESO=C(COc1csc(C(=O)O)c1)Nc1ccccc1Cl
InChIInChI=1S/C13H10ClNO4S/c14-9-3-1-2-4-10(9)15-12(16)6-19-8-5-11(13(17)18)20-7-8/h1-5,7H,6H2,(H,15,16)(H,17,18)
InChIKeyRRYYYYDRBFPKKQ-UHFFFAOYSA-N
XLogP3.12
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.75
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-chloroanilino)-2-oxoethoxy]thiophene-2-carboxylic acid
CID 66439098
4-[2-oxo-2-(2-phenylethylamino)ethoxy]thiophene-2-carboxylic acid
CID 66437990
4-[2-oxo-2-(prop-2-ynylamino)ethoxy]thiophene-2-carboxylic acid
CID 66436706
4-[2-(carbamoylamino)-2-oxoethoxy]thiophene-2-carboxylic acid
CID 66437104
3-[2-(2-chloroanilino)-2-oxoethoxy]benzoate
CID 2229520
N-(2-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 744320
2-(4-carbamothioylphenoxy)-N-(2-chlorophenyl)acetamide
CID 28547111
N-(2-chlorophenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide
CID 43504310
2-[[2-(3,5-dichlorophenoxy)acetyl]amino]benzoic acid
CID 11302225
N-(2-chlorophenyl)-2-[3-(hydroxyiminomethyl)phenoxy]acetamide
CID 1285426
2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(2-chlorophenyl)acetamide
CID 78930302
2-(2-chlorophenoxy)-N-[2-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]acetamide
CID 1032604

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chloroanilino)-2-oxoethoxy]thiophene-2-carboxylic acid?
The IUPAC name of 4-[2-(2-chloroanilino)-2-oxoethoxy]thiophene-2-carboxylic acid (CID 66439097) is 4-[2-(2-chloroanilino)-2-oxoethoxy]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[2-(2-chloroanilino)-2-oxoethoxy]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[2-(2-chloroanilino)-2-oxoethoxy]thiophene-2-carboxylic acid is O=C(COc1csc(C(=O)O)c1)Nc1ccccc1Cl.
What is the InChIKey of 4-[2-(2-chloroanilino)-2-oxoethoxy]thiophene-2-carboxylic acid?
The InChIKey is RRYYYYDRBFPKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO4S/c14-9-3-1-2-4-10(9)15-12(16)6-19-8-5-11(13(17)18)20-7-8/h1-5,7H,6H2,(H,15,16)(H,17,18).
What are the key properties of 4-[2-(2-chloroanilino)-2-oxoethoxy]thiophene-2-carboxylic acid?
4-[2-(2-chloroanilino)-2-oxoethoxy]thiophene-2-carboxylic acid has a molecular weight of 311.75 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chloroanilino)-2-oxoethoxy]thiophene-2-carboxylic acid is sourced from PubChem (CID 66439097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).