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

C13H11NO4S — CID 774598

IUPAC2-[4-(thiophene-2-carbonylamino)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C13H11NO4S/c15-12(16)8-18-10-5-3-9(4-6-10)14-13(17)11-2-1-7-19-11/h1-7H,8H2,(H,14,17)(H,15,16)
InChIKeyBMAARLMJUUNRCW-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.46
Rot. Bonds5

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

2-[4-(thiophene-2-carbonylamino)phenoxy]acetic acid (PubChem CID 774598) has the molecular formula C13H11NO4S and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-[4-(thiophene-2-carbonylamino)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(thiophene-2-carbonylamino)phenoxy]acetic acid
PubChem CID774598
Molecular FormulaC13H11NO4S
Molecular Weight277.30 g/mol
Exact Mass277.04
IUPAC Name2-[4-(thiophene-2-carbonylamino)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C13H11NO4S/c15-12(16)8-18-10-5-3-9(4-6-10)14-13(17)11-2-1-7-19-11/h1-7H,8H2,(H,14,17)(H,15,16)
InChIKeyBMAARLMJUUNRCW-UHFFFAOYSA-N
XLogP2.46
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(thiophene-2-carbonylamino)phenoxy]acetic acid?
The IUPAC name of 2-[4-(thiophene-2-carbonylamino)phenoxy]acetic acid (CID 774598) is 2-[4-(thiophene-2-carbonylamino)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-(thiophene-2-carbonylamino)phenoxy]acetic acid?
The canonical SMILES for 2-[4-(thiophene-2-carbonylamino)phenoxy]acetic acid is O=C(O)COc1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of 2-[4-(thiophene-2-carbonylamino)phenoxy]acetic acid?
The InChIKey is BMAARLMJUUNRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4S/c15-12(16)8-18-10-5-3-9(4-6-10)14-13(17)11-2-1-7-19-11/h1-7H,8H2,(H,14,17)(H,15,16).
What are the key properties of 2-[4-(thiophene-2-carbonylamino)phenoxy]acetic acid?
2-[4-(thiophene-2-carbonylamino)phenoxy]acetic acid has a molecular weight of 277.30 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(thiophene-2-carbonylamino)phenoxy]acetic acid is sourced from PubChem (CID 774598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).