5-[3-(2,4-dichlorophenyl)propanoylamino]thiophene-2-carboxylic acid

C14H11Cl2NO3S — CID 43474341

IUPAC5-[3-(2,4-dichlorophenyl)propanoylamino]thiophene-2-carboxylic acid
SMILESO=C(CCc1ccc(Cl)cc1Cl)Nc1ccc(C(=O)O)s1
InChIInChI=1S/C14H11Cl2NO3S/c15-9-3-1-8(10(16)7-9)2-5-12(18)17-13-6-4-11(21-13)14(19)20/h1,3-4,6-7H,2,5H2,(H,17,18)(H,19,20)
InChIKeyMKWIFZVXGLVEIV-UHFFFAOYSA-N
MW344.22 g/mol
LogP4.32
Rot. Bonds5

About 5-[3-(2,4-dichlorophenyl)propanoylamino]thiophene-2-carboxylic acid

5-[3-(2,4-dichlorophenyl)propanoylamino]thiophene-2-carboxylic acid (PubChem CID 43474341) has the molecular formula C14H11Cl2NO3S and a molecular weight of 344.22 g/mol. Its IUPAC name is 5-[3-(2,4-dichlorophenyl)propanoylamino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-(2,4-dichlorophenyl)propanoylamino]thiophene-2-carboxylic acid
PubChem CID43474341
Molecular FormulaC14H11Cl2NO3S
Molecular Weight344.22 g/mol
Exact Mass342.98
IUPAC Name5-[3-(2,4-dichlorophenyl)propanoylamino]thiophene-2-carboxylic acid
SMILESO=C(CCc1ccc(Cl)cc1Cl)Nc1ccc(C(=O)O)s1
InChIInChI=1S/C14H11Cl2NO3S/c15-9-3-1-8(10(16)7-9)2-5-12(18)17-13-6-4-11(21-13)14(19)20/h1,3-4,6-7H,2,5H2,(H,17,18)(H,19,20)
InChIKeyMKWIFZVXGLVEIV-UHFFFAOYSA-N
XLogP4.32
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[3-(2,4-dichlorophenyl)propanoylamino]thiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[3-(2-hydroxyphenyl)propanoylamino]thiophene-2-carboxylic acid
CID 43474524
3-(2,4-dichlorophenyl)-N-methylpropanamide
CID 60731277
5-[3-(2-methoxyphenyl)propanoylamino]thiophene-2-carboxylic acid
CID 43474464
N-(4-bromo-3-chlorophenyl)-3-(2,4-dichlorophenyl)propanamide
CID 100606713
3-(2,4-dichlorophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)propanamide
CID 115680816
3-(2,4-dichlorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)propanamide
CID 112691373
3-(2,4-dichlorophenyl)-N-naphthalen-2-ylpropanamide
CID 100605346
3-(2,4-dichlorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide
CID 115764583
3-(2,4-dichlorophenyl)-N-(2,3-dimethylphenyl)propanamide
CID 100605551
3-(2,4-dichlorophenyl)-N-(2-methylsulfanylphenyl)propanamide
CID 100606765
N-(3-acetylphenyl)-3-(2,4-dichlorophenyl)propanamide
CID 100606597
1-chloro-4-(2,4-dichlorophenyl)butan-2-one
CID 20507775

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,4-dichlorophenyl)propanoylamino]thiophene-2-carboxylic acid?
The IUPAC name of 5-[3-(2,4-dichlorophenyl)propanoylamino]thiophene-2-carboxylic acid (CID 43474341) is 5-[3-(2,4-dichlorophenyl)propanoylamino]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[3-(2,4-dichlorophenyl)propanoylamino]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[3-(2,4-dichlorophenyl)propanoylamino]thiophene-2-carboxylic acid is O=C(CCc1ccc(Cl)cc1Cl)Nc1ccc(C(=O)O)s1.
What is the InChIKey of 5-[3-(2,4-dichlorophenyl)propanoylamino]thiophene-2-carboxylic acid?
The InChIKey is MKWIFZVXGLVEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO3S/c15-9-3-1-8(10(16)7-9)2-5-12(18)17-13-6-4-11(21-13)14(19)20/h1,3-4,6-7H,2,5H2,(H,17,18)(H,19,20).
What are the key properties of 5-[3-(2,4-dichlorophenyl)propanoylamino]thiophene-2-carboxylic acid?
5-[3-(2,4-dichlorophenyl)propanoylamino]thiophene-2-carboxylic acid has a molecular weight of 344.22 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,4-dichlorophenyl)propanoylamino]thiophene-2-carboxylic acid is sourced from PubChem (CID 43474341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).