2-[4-[(2-thiophen-2-ylacetyl)amino]phenyl]acetic acid

C14H13NO3S — CID 4652743

IUPAC2-[4-[(2-thiophen-2-ylacetyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)Cc2cccs2)cc1
InChIInChI=1S/C14H13NO3S/c16-13(9-12-2-1-7-19-12)15-11-5-3-10(4-6-11)8-14(17)18/h1-7H,8-9H2,(H,15,16)(H,17,18)
InChIKeyOGWZBUGAWHFJIY-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.56
Rot. Bonds5

About 2-[4-[(2-thiophen-2-ylacetyl)amino]phenyl]acetic acid

2-[4-[(2-thiophen-2-ylacetyl)amino]phenyl]acetic acid (PubChem CID 4652743) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-[4-[(2-thiophen-2-ylacetyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-thiophen-2-ylacetyl)amino]phenyl]acetic acid
PubChem CID4652743
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Name2-[4-[(2-thiophen-2-ylacetyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)Cc2cccs2)cc1
InChIInChI=1S/C14H13NO3S/c16-13(9-12-2-1-7-19-12)15-11-5-3-10(4-6-11)8-14(17)18/h1-7H,8-9H2,(H,15,16)(H,17,18)
InChIKeyOGWZBUGAWHFJIY-UHFFFAOYSA-N
XLogP2.56
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-thiophen-2-ylacetyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[(2-thiophen-2-ylacetyl)amino]phenyl]acetic acid (CID 4652743) is 2-[4-[(2-thiophen-2-ylacetyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(2-thiophen-2-ylacetyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(2-thiophen-2-ylacetyl)amino]phenyl]acetic acid is O=C(O)Cc1ccc(NC(=O)Cc2cccs2)cc1.
What is the InChIKey of 2-[4-[(2-thiophen-2-ylacetyl)amino]phenyl]acetic acid?
The InChIKey is OGWZBUGAWHFJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c16-13(9-12-2-1-7-19-12)15-11-5-3-10(4-6-11)8-14(17)18/h1-7H,8-9H2,(H,15,16)(H,17,18).
What are the key properties of 2-[4-[(2-thiophen-2-ylacetyl)amino]phenyl]acetic acid?
2-[4-[(2-thiophen-2-ylacetyl)amino]phenyl]acetic acid has a molecular weight of 275.33 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-thiophen-2-ylacetyl)amino]phenyl]acetic acid is sourced from PubChem (CID 4652743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).