3-[2-(3-cyanoanilino)-2-oxoethoxy]thiophene-2-carboxylic acid

C14H10N2O4S — CID 63336183

IUPAC3-[2-(3-cyanoanilino)-2-oxoethoxy]thiophene-2-carboxylic acid
SMILESN#Cc1cccc(NC(=O)COc2ccsc2C(=O)O)c1
InChIInChI=1S/C14H10N2O4S/c15-7-9-2-1-3-10(6-9)16-12(17)8-20-11-4-5-21-13(11)14(18)19/h1-6H,8H2,(H,16,17)(H,18,19)
InChIKeyIFRCHELXUBXYIR-UHFFFAOYSA-N
MW302.31 g/mol
LogP2.34
Rot. Bonds5

About 3-[2-(3-cyanoanilino)-2-oxoethoxy]thiophene-2-carboxylic acid

3-[2-(3-cyanoanilino)-2-oxoethoxy]thiophene-2-carboxylic acid (PubChem CID 63336183) has the molecular formula C14H10N2O4S and a molecular weight of 302.31 g/mol. Its IUPAC name is 3-[2-(3-cyanoanilino)-2-oxoethoxy]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[2-(3-cyanoanilino)-2-oxoethoxy]thiophene-2-carboxylic acid
PubChem CID63336183
Molecular FormulaC14H10N2O4S
Molecular Weight302.31 g/mol
Exact Mass302.04
IUPAC Name3-[2-(3-cyanoanilino)-2-oxoethoxy]thiophene-2-carboxylic acid
SMILESN#Cc1cccc(NC(=O)COc2ccsc2C(=O)O)c1
InChIInChI=1S/C14H10N2O4S/c15-7-9-2-1-3-10(6-9)16-12(17)8-20-11-4-5-21-13(11)14(18)19/h1-6H,8H2,(H,16,17)(H,18,19)
InChIKeyIFRCHELXUBXYIR-UHFFFAOYSA-N
XLogP2.34
TPSA99.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[2-(3-cyanoanilino)-2-oxoethoxy]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

N-(3-cyanophenyl)-2-(2-hydroxyphenoxy)acetamide
CID 78769028
N-(3-cyanophenyl)-2-(3,5-dimethoxyphenoxy)acetamide
CID 7713816
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-(4-bromo-2,5-dimethylphenoxy)-N-(3-cyanophenyl)acetamide
CID 4270480
3-[(3-cyanoanilino)methyl]thiophene-2-carboxylic acid
CID 103234348
N-(3-cyanophenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 926866
[2-(3-cyanoanilino)-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate
CID 7735360
N-(3-cyanophenyl)-2-(3-fluorophenoxy)acetamide
CID 2709220
N-(3-cyanophenyl)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide
CID 2578049
2-(4-bromo-2-formylphenoxy)-N-(3-cyanophenyl)acetamide
CID 7820172
2-(5-cyano-2-methylphenoxy)-N-phenylacetamide
CID 103760055

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-cyanoanilino)-2-oxoethoxy]thiophene-2-carboxylic acid?
The IUPAC name of 3-[2-(3-cyanoanilino)-2-oxoethoxy]thiophene-2-carboxylic acid (CID 63336183) is 3-[2-(3-cyanoanilino)-2-oxoethoxy]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[2-(3-cyanoanilino)-2-oxoethoxy]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[2-(3-cyanoanilino)-2-oxoethoxy]thiophene-2-carboxylic acid is N#Cc1cccc(NC(=O)COc2ccsc2C(=O)O)c1.
What is the InChIKey of 3-[2-(3-cyanoanilino)-2-oxoethoxy]thiophene-2-carboxylic acid?
The InChIKey is IFRCHELXUBXYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4S/c15-7-9-2-1-3-10(6-9)16-12(17)8-20-11-4-5-21-13(11)14(18)19/h1-6H,8H2,(H,16,17)(H,18,19).
What are the key properties of 3-[2-(3-cyanoanilino)-2-oxoethoxy]thiophene-2-carboxylic acid?
3-[2-(3-cyanoanilino)-2-oxoethoxy]thiophene-2-carboxylic acid has a molecular weight of 302.31 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-cyanoanilino)-2-oxoethoxy]thiophene-2-carboxylic acid is sourced from PubChem (CID 63336183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).