2-[4-(thiophene-2-carbonylamino)phenyl]acetic acid

C13H11NO3S — CID 888110

IUPAC2-[4-(thiophene-2-carbonylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C13H11NO3S/c15-12(16)8-9-3-5-10(6-4-9)14-13(17)11-2-1-7-18-11/h1-7H,8H2,(H,14,17)(H,15,16)
InChIKeyDXLFUNZZXUSEPE-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.63
Rot. Bonds4

About 2-[4-(thiophene-2-carbonylamino)phenyl]acetic acid

2-[4-(thiophene-2-carbonylamino)phenyl]acetic acid (PubChem CID 888110) has the molecular formula C13H11NO3S and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-[4-(thiophene-2-carbonylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(thiophene-2-carbonylamino)phenyl]acetic acid
PubChem CID888110
Molecular FormulaC13H11NO3S
Molecular Weight261.30 g/mol
Exact Mass261.05
IUPAC Name2-[4-(thiophene-2-carbonylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C13H11NO3S/c15-12(16)8-9-3-5-10(6-4-9)14-13(17)11-2-1-7-18-11/h1-7H,8H2,(H,14,17)(H,15,16)
InChIKeyDXLFUNZZXUSEPE-UHFFFAOYSA-N
XLogP2.63
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-(thiophene-2-carbonylamino)phenyl]acetic 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-[4-(thiophene-2-carbonylamino)phenyl]acetic acid?
The IUPAC name of 2-[4-(thiophene-2-carbonylamino)phenyl]acetic acid (CID 888110) is 2-[4-(thiophene-2-carbonylamino)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(thiophene-2-carbonylamino)phenyl]acetic acid?
The canonical SMILES for 2-[4-(thiophene-2-carbonylamino)phenyl]acetic acid is O=C(O)Cc1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of 2-[4-(thiophene-2-carbonylamino)phenyl]acetic acid?
The InChIKey is DXLFUNZZXUSEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3S/c15-12(16)8-9-3-5-10(6-4-9)14-13(17)11-2-1-7-18-11/h1-7H,8H2,(H,14,17)(H,15,16).
What are the key properties of 2-[4-(thiophene-2-carbonylamino)phenyl]acetic acid?
2-[4-(thiophene-2-carbonylamino)phenyl]acetic acid has a molecular weight of 261.30 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(thiophene-2-carbonylamino)phenyl]acetic acid is sourced from PubChem (CID 888110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).