4-[2-(2,5-difluoroanilino)-2-oxoethyl]sulfanylthiophene-2-carboxylic acid

C13H9F2NO3S2 — CID 79132015

IUPAC4-[2-(2,5-difluoroanilino)-2-oxoethyl]sulfanylthiophene-2-carboxylic acid
SMILESO=C(CSc1csc(C(=O)O)c1)Nc1cc(F)ccc1F
InChIInChI=1S/C13H9F2NO3S2/c14-7-1-2-9(15)10(3-7)16-12(17)6-20-8-4-11(13(18)19)21-5-8/h1-5H,6H2,(H,16,17)(H,18,19)
InChIKeyIODGCGIPYSQWHW-UHFFFAOYSA-N
MW329.35 g/mol
LogP3.46
Rot. Bonds5

About 4-[2-(2,5-difluoroanilino)-2-oxoethyl]sulfanylthiophene-2-carboxylic acid

4-[2-(2,5-difluoroanilino)-2-oxoethyl]sulfanylthiophene-2-carboxylic acid (PubChem CID 79132015) has the molecular formula C13H9F2NO3S2 and a molecular weight of 329.35 g/mol. Its IUPAC name is 4-[2-(2,5-difluoroanilino)-2-oxoethyl]sulfanylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2,5-difluoroanilino)-2-oxoethyl]sulfanylthiophene-2-carboxylic acid
PubChem CID79132015
Molecular FormulaC13H9F2NO3S2
Molecular Weight329.35 g/mol
Exact Mass329.00
IUPAC Name4-[2-(2,5-difluoroanilino)-2-oxoethyl]sulfanylthiophene-2-carboxylic acid
SMILESO=C(CSc1csc(C(=O)O)c1)Nc1cc(F)ccc1F
InChIInChI=1S/C13H9F2NO3S2/c14-7-1-2-9(15)10(3-7)16-12(17)6-20-8-4-11(13(18)19)21-5-8/h1-5H,6H2,(H,16,17)(H,18,19)
InChIKeyIODGCGIPYSQWHW-UHFFFAOYSA-N
XLogP3.46
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-(2,5-difluoroanilino)-2-oxoethyl]sulfanylthiophene-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

4-[2-(3,5-difluoroanilino)-2-oxoethyl]sulfanylthiophene-2-carboxylic acid
CID 79132690
4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanylthiophene-2-carboxylic acid
CID 79131790
N-(2,5-difluorophenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 26360934
N-(2,5-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide
CID 7457680
2-(2-aminophenyl)sulfanyl-N-(2,5-difluorophenyl)acetamide
CID 43249156
N-(5-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide
CID 2501507
2-[4-[(3-chloro-2-hydroxypropyl)amino]phenyl]sulfanyl-N-(2,5-difluorophenyl)acetamide
CID 168637370
N-(2,5-difluorophenyl)-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 51236767
3-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]thiophene-2-carboxylic acid
CID 43171763
N-(5-amino-2-fluorophenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 29283740
2-[2-(2,5-difluoroanilino)-2-oxoethyl]sulfanyl-3-methylbutanoic acid
CID 105354025
N-(2,5-difluorophenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7556313

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,5-difluoroanilino)-2-oxoethyl]sulfanylthiophene-2-carboxylic acid?
The IUPAC name of 4-[2-(2,5-difluoroanilino)-2-oxoethyl]sulfanylthiophene-2-carboxylic acid (CID 79132015) is 4-[2-(2,5-difluoroanilino)-2-oxoethyl]sulfanylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-[2-(2,5-difluoroanilino)-2-oxoethyl]sulfanylthiophene-2-carboxylic acid?
The canonical SMILES for 4-[2-(2,5-difluoroanilino)-2-oxoethyl]sulfanylthiophene-2-carboxylic acid is O=C(CSc1csc(C(=O)O)c1)Nc1cc(F)ccc1F.
What is the InChIKey of 4-[2-(2,5-difluoroanilino)-2-oxoethyl]sulfanylthiophene-2-carboxylic acid?
The InChIKey is IODGCGIPYSQWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO3S2/c14-7-1-2-9(15)10(3-7)16-12(17)6-20-8-4-11(13(18)19)21-5-8/h1-5H,6H2,(H,16,17)(H,18,19).
What are the key properties of 4-[2-(2,5-difluoroanilino)-2-oxoethyl]sulfanylthiophene-2-carboxylic acid?
4-[2-(2,5-difluoroanilino)-2-oxoethyl]sulfanylthiophene-2-carboxylic acid has a molecular weight of 329.35 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,5-difluoroanilino)-2-oxoethyl]sulfanylthiophene-2-carboxylic acid is sourced from PubChem (CID 79132015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).