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

C13H12N2O5S2 — CID 15384324

IUPAC2-[[4-(thiophene-2-carbonylamino)phenyl]sulfonylamino]acetic acid
SMILESO=C(O)CNS(=O)(=O)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C13H12N2O5S2/c16-12(17)8-14-22(19,20)10-5-3-9(4-6-10)15-13(18)11-2-1-7-21-11/h1-7,14H,8H2,(H,15,18)(H,16,17)
InChIKeySSPZVUURYXUMPA-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.36
Rot. Bonds6

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

2-[[4-(thiophene-2-carbonylamino)phenyl]sulfonylamino]acetic acid (PubChem CID 15384324) has the molecular formula C13H12N2O5S2 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-[[4-(thiophene-2-carbonylamino)phenyl]sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-(thiophene-2-carbonylamino)phenyl]sulfonylamino]acetic acid
PubChem CID15384324
Molecular FormulaC13H12N2O5S2
Molecular Weight340.38 g/mol
Exact Mass340.02
IUPAC Name2-[[4-(thiophene-2-carbonylamino)phenyl]sulfonylamino]acetic acid
SMILESO=C(O)CNS(=O)(=O)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C13H12N2O5S2/c16-12(17)8-14-22(19,20)10-5-3-9(4-6-10)15-13(18)11-2-1-7-21-11/h1-7,14H,8H2,(H,15,18)(H,16,17)
InChIKeySSPZVUURYXUMPA-UHFFFAOYSA-N
XLogP1.36
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(thiophene-2-carbonylamino)phenyl]sulfonylamino]acetic acid?
The IUPAC name of 2-[[4-(thiophene-2-carbonylamino)phenyl]sulfonylamino]acetic acid (CID 15384324) is 2-[[4-(thiophene-2-carbonylamino)phenyl]sulfonylamino]acetic acid.
What is the SMILES notation for 2-[[4-(thiophene-2-carbonylamino)phenyl]sulfonylamino]acetic acid?
The canonical SMILES for 2-[[4-(thiophene-2-carbonylamino)phenyl]sulfonylamino]acetic acid is O=C(O)CNS(=O)(=O)c1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of 2-[[4-(thiophene-2-carbonylamino)phenyl]sulfonylamino]acetic acid?
The InChIKey is SSPZVUURYXUMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5S2/c16-12(17)8-14-22(19,20)10-5-3-9(4-6-10)15-13(18)11-2-1-7-21-11/h1-7,14H,8H2,(H,15,18)(H,16,17).
What are the key properties of 2-[[4-(thiophene-2-carbonylamino)phenyl]sulfonylamino]acetic acid?
2-[[4-(thiophene-2-carbonylamino)phenyl]sulfonylamino]acetic acid has a molecular weight of 340.38 g/mol, XLogP of 1.36, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(thiophene-2-carbonylamino)phenyl]sulfonylamino]acetic acid is sourced from PubChem (CID 15384324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).