2-[methyl(thiophen-3-ylcarbamoyl)amino]benzoic acid

C13H12N2O3S — CID 66355662

IUPAC2-[methyl(thiophen-3-ylcarbamoyl)amino]benzoic acid
SMILESCN(C(=O)Nc1ccsc1)c1ccccc1C(=O)O
InChIInChI=1S/C13H12N2O3S/c1-15(13(18)14-9-6-7-19-8-9)11-5-3-2-4-10(11)12(16)17/h2-8H,1H3,(H,14,18)(H,16,17)
InChIKeyZTJDFNMAZDPMTB-UHFFFAOYSA-N
MW276.32 g/mol
LogP3.11
Rot. Bonds3

About 2-[methyl(thiophen-3-ylcarbamoyl)amino]benzoic acid

2-[methyl(thiophen-3-ylcarbamoyl)amino]benzoic acid (PubChem CID 66355662) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is 2-[methyl(thiophen-3-ylcarbamoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[methyl(thiophen-3-ylcarbamoyl)amino]benzoic acid
PubChem CID66355662
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name2-[methyl(thiophen-3-ylcarbamoyl)amino]benzoic acid
SMILESCN(C(=O)Nc1ccsc1)c1ccccc1C(=O)O
InChIInChI=1S/C13H12N2O3S/c1-15(13(18)14-9-6-7-19-8-9)11-5-3-2-4-10(11)12(16)17/h2-8H,1H3,(H,14,18)(H,16,17)
InChIKeyZTJDFNMAZDPMTB-UHFFFAOYSA-N
XLogP3.11
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(thiophen-3-ylcarbamoyl)amino]benzoic acid?
The IUPAC name of 2-[methyl(thiophen-3-ylcarbamoyl)amino]benzoic acid (CID 66355662) is 2-[methyl(thiophen-3-ylcarbamoyl)amino]benzoic acid.
What is the SMILES notation for 2-[methyl(thiophen-3-ylcarbamoyl)amino]benzoic acid?
The canonical SMILES for 2-[methyl(thiophen-3-ylcarbamoyl)amino]benzoic acid is CN(C(=O)Nc1ccsc1)c1ccccc1C(=O)O.
What is the InChIKey of 2-[methyl(thiophen-3-ylcarbamoyl)amino]benzoic acid?
The InChIKey is ZTJDFNMAZDPMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-15(13(18)14-9-6-7-19-8-9)11-5-3-2-4-10(11)12(16)17/h2-8H,1H3,(H,14,18)(H,16,17).
What are the key properties of 2-[methyl(thiophen-3-ylcarbamoyl)amino]benzoic acid?
2-[methyl(thiophen-3-ylcarbamoyl)amino]benzoic acid has a molecular weight of 276.32 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(thiophen-3-ylcarbamoyl)amino]benzoic acid is sourced from PubChem (CID 66355662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).