3-[2-(2,5-dichloroanilino)-2-oxoethoxy]thiophene-2-carboxylic acid

C13H9Cl2NO4S — CID 63336099

IUPAC3-[2-(2,5-dichloroanilino)-2-oxoethoxy]thiophene-2-carboxylic acid
SMILESO=C(COc1ccsc1C(=O)O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H9Cl2NO4S/c14-7-1-2-8(15)9(5-7)16-11(17)6-20-10-3-4-21-12(10)13(18)19/h1-5H,6H2,(H,16,17)(H,18,19)
InChIKeyWIEKYGZTBZAYJH-UHFFFAOYSA-N
MW346.19 g/mol
LogP3.77
Rot. Bonds5

About 3-[2-(2,5-dichloroanilino)-2-oxoethoxy]thiophene-2-carboxylic acid

3-[2-(2,5-dichloroanilino)-2-oxoethoxy]thiophene-2-carboxylic acid (PubChem CID 63336099) has the molecular formula C13H9Cl2NO4S and a molecular weight of 346.19 g/mol. Its IUPAC name is 3-[2-(2,5-dichloroanilino)-2-oxoethoxy]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[2-(2,5-dichloroanilino)-2-oxoethoxy]thiophene-2-carboxylic acid
PubChem CID63336099
Molecular FormulaC13H9Cl2NO4S
Molecular Weight346.19 g/mol
Exact Mass344.96
IUPAC Name3-[2-(2,5-dichloroanilino)-2-oxoethoxy]thiophene-2-carboxylic acid
SMILESO=C(COc1ccsc1C(=O)O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H9Cl2NO4S/c14-7-1-2-8(15)9(5-7)16-11(17)6-20-10-3-4-21-12(10)13(18)19/h1-5H,6H2,(H,16,17)(H,18,19)
InChIKeyWIEKYGZTBZAYJH-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-(2,6-dichloroanilino)-2-oxoethoxy]thiophene-2-carboxylic acid
CID 63336577
2-(2-acetamidophenoxy)-N-(2,5-dichlorophenyl)acetamide
CID 7867306
3-[2-(4-bromoanilino)-2-oxoethoxy]thiophene-2-carboxylic acid
CID 63338003
3-[2-(4-methylanilino)-2-oxoethoxy]thiophene-2-carboxylic acid
CID 63338047
2-(2-bromo-4-fluorophenoxy)-N-(2,5-dichlorophenyl)acetamide
CID 7899911
N-(2,5-dichlorophenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 35987064
methyl 3-chloro-4-[2-(2,5-dichloroanilino)-2-oxoethoxy]benzoate
CID 55321046
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,5-dichlorophenyl)acetamide
CID 7936907
3-[2-(cyclopropylamino)-2-oxoethoxy]thiophene-2-carboxylic acid
CID 63338308
N-(2-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 744320
2-(2,6-dichloro-4-formylphenoxy)-N-(2,5-dichlorophenyl)acetamide
CID 28913451
N-(2-chloro-4,5-dimethoxyphenyl)-2-(2,5-dichlorophenoxy)acetamide
CID 24685752

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,5-dichloroanilino)-2-oxoethoxy]thiophene-2-carboxylic acid?
The IUPAC name of 3-[2-(2,5-dichloroanilino)-2-oxoethoxy]thiophene-2-carboxylic acid (CID 63336099) is 3-[2-(2,5-dichloroanilino)-2-oxoethoxy]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[2-(2,5-dichloroanilino)-2-oxoethoxy]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[2-(2,5-dichloroanilino)-2-oxoethoxy]thiophene-2-carboxylic acid is O=C(COc1ccsc1C(=O)O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 3-[2-(2,5-dichloroanilino)-2-oxoethoxy]thiophene-2-carboxylic acid?
The InChIKey is WIEKYGZTBZAYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO4S/c14-7-1-2-8(15)9(5-7)16-11(17)6-20-10-3-4-21-12(10)13(18)19/h1-5H,6H2,(H,16,17)(H,18,19).
What are the key properties of 3-[2-(2,5-dichloroanilino)-2-oxoethoxy]thiophene-2-carboxylic acid?
3-[2-(2,5-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-(2,5-dichloroanilino)-2-oxoethoxy]thiophene-2-carboxylic acid is sourced from PubChem (CID 63336099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).