2-[(2-thiophen-2-ylethylsulfonylamino)methyl]furan-3-carboxylic acid

C12H13NO5S2 — CID 166266393

IUPAC2-[(2-thiophen-2-ylethylsulfonylamino)methyl]furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1CNS(=O)(=O)CCc1cccs1
InChIInChI=1S/C12H13NO5S2/c14-12(15)10-3-5-18-11(10)8-13-20(16,17)7-4-9-2-1-6-19-9/h1-3,5-6,13H,4,7-8H2,(H,14,15)
InChIKeyDACKVQRYPPTING-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.70
Rot. Bonds7

About 2-[(2-thiophen-2-ylethylsulfonylamino)methyl]furan-3-carboxylic acid

2-[(2-thiophen-2-ylethylsulfonylamino)methyl]furan-3-carboxylic acid (PubChem CID 166266393) has the molecular formula C12H13NO5S2 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-[(2-thiophen-2-ylethylsulfonylamino)methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-thiophen-2-ylethylsulfonylamino)methyl]furan-3-carboxylic acid
PubChem CID166266393
Molecular FormulaC12H13NO5S2
Molecular Weight315.37 g/mol
Exact Mass315.02
IUPAC Name2-[(2-thiophen-2-ylethylsulfonylamino)methyl]furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1CNS(=O)(=O)CCc1cccs1
InChIInChI=1S/C12H13NO5S2/c14-12(15)10-3-5-18-11(10)8-13-20(16,17)7-4-9-2-1-6-19-9/h1-3,5-6,13H,4,7-8H2,(H,14,15)
InChIKeyDACKVQRYPPTING-UHFFFAOYSA-N
XLogP1.70
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2-thiophen-2-ylethylsulfonylamino)methyl]furan-3-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

Frequently Asked Questions

What is the IUPAC name of 2-[(2-thiophen-2-ylethylsulfonylamino)methyl]furan-3-carboxylic acid?
The IUPAC name of 2-[(2-thiophen-2-ylethylsulfonylamino)methyl]furan-3-carboxylic acid (CID 166266393) is 2-[(2-thiophen-2-ylethylsulfonylamino)methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[(2-thiophen-2-ylethylsulfonylamino)methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[(2-thiophen-2-ylethylsulfonylamino)methyl]furan-3-carboxylic acid is O=C(O)c1ccoc1CNS(=O)(=O)CCc1cccs1.
What is the InChIKey of 2-[(2-thiophen-2-ylethylsulfonylamino)methyl]furan-3-carboxylic acid?
The InChIKey is DACKVQRYPPTING-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO5S2/c14-12(15)10-3-5-18-11(10)8-13-20(16,17)7-4-9-2-1-6-19-9/h1-3,5-6,13H,4,7-8H2,(H,14,15).
What are the key properties of 2-[(2-thiophen-2-ylethylsulfonylamino)methyl]furan-3-carboxylic acid?
2-[(2-thiophen-2-ylethylsulfonylamino)methyl]furan-3-carboxylic acid has a molecular weight of 315.37 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-thiophen-2-ylethylsulfonylamino)methyl]furan-3-carboxylic acid is sourced from PubChem (CID 166266393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).