3-[2-(2,6-dichloroanilino)-2-oxoethoxy]thiophene-2-carboxylic acid

C13H9Cl2NO4S — CID 63336577

IUPAC3-[2-(2,6-dichloroanilino)-2-oxoethoxy]thiophene-2-carboxylic acid
SMILESO=C(COc1ccsc1C(=O)O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C13H9Cl2NO4S/c14-7-2-1-3-8(15)11(7)16-10(17)6-20-9-4-5-21-12(9)13(18)19/h1-5H,6H2,(H,16,17)(H,18,19)
InChIKeyGUVDAVLCZMDOLK-UHFFFAOYSA-N
MW346.19 g/mol
LogP3.77
Rot. Bonds5

About 3-[2-(2,6-dichloroanilino)-2-oxoethoxy]thiophene-2-carboxylic acid

3-[2-(2,6-dichloroanilino)-2-oxoethoxy]thiophene-2-carboxylic acid (PubChem CID 63336577) has the molecular formula C13H9Cl2NO4S and a molecular weight of 346.19 g/mol. Its IUPAC name is 3-[2-(2,6-dichloroanilino)-2-oxoethoxy]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[2-(2,6-dichloroanilino)-2-oxoethoxy]thiophene-2-carboxylic acid
PubChem CID63336577
Molecular FormulaC13H9Cl2NO4S
Molecular Weight346.19 g/mol
Exact Mass344.96
IUPAC Name3-[2-(2,6-dichloroanilino)-2-oxoethoxy]thiophene-2-carboxylic acid
SMILESO=C(COc1ccsc1C(=O)O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C13H9Cl2NO4S/c14-7-2-1-3-8(15)11(7)16-10(17)6-20-9-4-5-21-12(9)13(18)19/h1-5H,6H2,(H,16,17)(H,18,19)
InChIKeyGUVDAVLCZMDOLK-UHFFFAOYSA-N
XLogP3.77
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.19
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2,5-dichloroanilino)-2-oxoethoxy]thiophene-2-carboxylic acid
CID 63336099
3-[2-(4-bromoanilino)-2-oxoethoxy]thiophene-2-carboxylic acid
CID 63338003
3-[2-(4-methylanilino)-2-oxoethoxy]thiophene-2-carboxylic acid
CID 63338047
3-[[2-(2-chlorophenoxy)acetyl]amino]-4-methylthiophene-2-carboxylic acid
CID 114915099
3-[2-(cyclopropylamino)-2-oxoethoxy]thiophene-2-carboxylic acid
CID 63338308
N-(2,6-dichlorophenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 54785981
3-[2-(oxan-4-ylamino)-2-oxoethoxy]thiophene-2-carboxylic acid
CID 63336144
3-[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethoxy]thiophene-2-carboxylic acid
CID 63338664
3-[(2-chloro-6-nitrophenyl)methoxy]thiophene-2-carboxylic acid
CID 63746936
2-(2-chlorophenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 707255
3-(2-thiophen-2-ylethoxy)thiophene-2-carboxylic acid
CID 63774713
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,6-dichloroanilino)-2-oxoethoxy]thiophene-2-carboxylic acid?
The IUPAC name of 3-[2-(2,6-dichloroanilino)-2-oxoethoxy]thiophene-2-carboxylic acid (CID 63336577) is 3-[2-(2,6-dichloroanilino)-2-oxoethoxy]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[2-(2,6-dichloroanilino)-2-oxoethoxy]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[2-(2,6-dichloroanilino)-2-oxoethoxy]thiophene-2-carboxylic acid is O=C(COc1ccsc1C(=O)O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 3-[2-(2,6-dichloroanilino)-2-oxoethoxy]thiophene-2-carboxylic acid?
The InChIKey is GUVDAVLCZMDOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO4S/c14-7-2-1-3-8(15)11(7)16-10(17)6-20-9-4-5-21-12(9)13(18)19/h1-5H,6H2,(H,16,17)(H,18,19).
What are the key properties of 3-[2-(2,6-dichloroanilino)-2-oxoethoxy]thiophene-2-carboxylic acid?
3-[2-(2,6-dichloroanilino)-2-oxoethoxy]thiophene-2-carboxylic acid has a molecular weight of 346.19 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,6-dichloroanilino)-2-oxoethoxy]thiophene-2-carboxylic acid is sourced from PubChem (CID 63336577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).