2-[5-chloro-2-(thiophene-2-carbonylamino)phenyl]acetic acid

C13H10ClNO3S — CID 10517994

IUPAC2-[5-chloro-2-(thiophene-2-carbonylamino)phenyl]acetic acid
SMILESO=C(O)Cc1cc(Cl)ccc1NC(=O)c1cccs1
InChIInChI=1S/C13H10ClNO3S/c14-9-3-4-10(8(6-9)7-12(16)17)15-13(18)11-2-1-5-19-11/h1-6H,7H2,(H,15,18)(H,16,17)
InChIKeyUONOUDMPQLFVTC-UHFFFAOYSA-N
MW295.75 g/mol
LogP3.28
Rot. Bonds4

About 2-[5-chloro-2-(thiophene-2-carbonylamino)phenyl]acetic acid

2-[5-chloro-2-(thiophene-2-carbonylamino)phenyl]acetic acid (PubChem CID 10517994) has the molecular formula C13H10ClNO3S and a molecular weight of 295.75 g/mol. Its IUPAC name is 2-[5-chloro-2-(thiophene-2-carbonylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[5-chloro-2-(thiophene-2-carbonylamino)phenyl]acetic acid
PubChem CID10517994
Molecular FormulaC13H10ClNO3S
Molecular Weight295.75 g/mol
Exact Mass295.01
IUPAC Name2-[5-chloro-2-(thiophene-2-carbonylamino)phenyl]acetic acid
SMILESO=C(O)Cc1cc(Cl)ccc1NC(=O)c1cccs1
InChIInChI=1S/C13H10ClNO3S/c14-9-3-4-10(8(6-9)7-12(16)17)15-13(18)11-2-1-5-19-11/h1-6H,7H2,(H,15,18)(H,16,17)
InChIKeyUONOUDMPQLFVTC-UHFFFAOYSA-N
XLogP3.28
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(thiophene-2-carbonylamino)phenyl]acetic acid?
The IUPAC name of 2-[5-chloro-2-(thiophene-2-carbonylamino)phenyl]acetic acid (CID 10517994) is 2-[5-chloro-2-(thiophene-2-carbonylamino)phenyl]acetic acid.
What is the SMILES notation for 2-[5-chloro-2-(thiophene-2-carbonylamino)phenyl]acetic acid?
The canonical SMILES for 2-[5-chloro-2-(thiophene-2-carbonylamino)phenyl]acetic acid is O=C(O)Cc1cc(Cl)ccc1NC(=O)c1cccs1.
What is the InChIKey of 2-[5-chloro-2-(thiophene-2-carbonylamino)phenyl]acetic acid?
The InChIKey is UONOUDMPQLFVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO3S/c14-9-3-4-10(8(6-9)7-12(16)17)15-13(18)11-2-1-5-19-11/h1-6H,7H2,(H,15,18)(H,16,17).
What are the key properties of 2-[5-chloro-2-(thiophene-2-carbonylamino)phenyl]acetic acid?
2-[5-chloro-2-(thiophene-2-carbonylamino)phenyl]acetic acid has a molecular weight of 295.75 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(thiophene-2-carbonylamino)phenyl]acetic acid is sourced from PubChem (CID 10517994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).