2-[(2,4-dichlorobenzoyl)amino]-5-ethylthiophene-3-carboxylic acid

C14H11Cl2NO3S — CID 63616464

IUPAC2-[(2,4-dichlorobenzoyl)amino]-5-ethylthiophene-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(NC(=O)c2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C14H11Cl2NO3S/c1-2-8-6-10(14(19)20)13(21-8)17-12(18)9-4-3-7(15)5-11(9)16/h3-6H,2H2,1H3,(H,17,18)(H,19,20)
InChIKeyIFIRWHIURVSHST-UHFFFAOYSA-N
MW344.22 g/mol
LogP4.57
Rot. Bonds4

About 2-[(2,4-dichlorobenzoyl)amino]-5-ethylthiophene-3-carboxylic acid

2-[(2,4-dichlorobenzoyl)amino]-5-ethylthiophene-3-carboxylic acid (PubChem CID 63616464) has the molecular formula C14H11Cl2NO3S and a molecular weight of 344.22 g/mol. Its IUPAC name is 2-[(2,4-dichlorobenzoyl)amino]-5-ethylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2,4-dichlorobenzoyl)amino]-5-ethylthiophene-3-carboxylic acid
PubChem CID63616464
Molecular FormulaC14H11Cl2NO3S
Molecular Weight344.22 g/mol
Exact Mass342.98
IUPAC Name2-[(2,4-dichlorobenzoyl)amino]-5-ethylthiophene-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(NC(=O)c2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C14H11Cl2NO3S/c1-2-8-6-10(14(19)20)13(21-8)17-12(18)9-4-3-7(15)5-11(9)16/h3-6H,2H2,1H3,(H,17,18)(H,19,20)
InChIKeyIFIRWHIURVSHST-UHFFFAOYSA-N
XLogP4.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-chloro-2-hydroxybenzoyl)amino]-5-ethylthiophene-3-carboxylic acid
CID 63616192
2-[(2,4-dichlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 63615045
2-[(2-chloro-5-hydroxybenzoyl)amino]-5-ethylthiophene-3-carboxylic acid
CID 106500285
2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-5-ethylthiophene-3-carboxylic acid
CID 28859027
5-ethyl-2-[(2-fluorobenzoyl)amino]thiophene-3-carboxylic acid
CID 876996
5-ethyl-2-[(2-hydroxy-4-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 63616191
2-acetamido-5-ethylthiophene-3-carboxylic acid
CID 21230639
5-ethyl-2-[(3-hydroxy-2-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 82810194
5-ethyl-2-[(2-hydroxy-5-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 63616184
2-[[2-(4-chlorophenoxy)acetyl]amino]-5-ethylthiophene-3-carboxylic acid
CID 28858939
2-[(2,4-dichlorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 16777479
5-ethyl-2-(thiophene-3-carbonylamino)thiophene-3-carboxylic acid
CID 63616182

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorobenzoyl)amino]-5-ethylthiophene-3-carboxylic acid?
The IUPAC name of 2-[(2,4-dichlorobenzoyl)amino]-5-ethylthiophene-3-carboxylic acid (CID 63616464) is 2-[(2,4-dichlorobenzoyl)amino]-5-ethylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(2,4-dichlorobenzoyl)amino]-5-ethylthiophene-3-carboxylic acid?
The canonical SMILES for 2-[(2,4-dichlorobenzoyl)amino]-5-ethylthiophene-3-carboxylic acid is CCc1cc(C(=O)O)c(NC(=O)c2ccc(Cl)cc2Cl)s1.
What is the InChIKey of 2-[(2,4-dichlorobenzoyl)amino]-5-ethylthiophene-3-carboxylic acid?
The InChIKey is IFIRWHIURVSHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO3S/c1-2-8-6-10(14(19)20)13(21-8)17-12(18)9-4-3-7(15)5-11(9)16/h3-6H,2H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(2,4-dichlorobenzoyl)amino]-5-ethylthiophene-3-carboxylic acid?
2-[(2,4-dichlorobenzoyl)amino]-5-ethylthiophene-3-carboxylic acid has a molecular weight of 344.22 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorobenzoyl)amino]-5-ethylthiophene-3-carboxylic acid is sourced from PubChem (CID 63616464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).