2-[methyl(thiophene-2-carbonyl)amino]benzoic acid

C13H11NO3S — CID 750789

IUPAC2-[methyl(thiophene-2-carbonyl)amino]benzoic acid
SMILESCN(C(=O)c1cccs1)c1ccccc1C(=O)O
InChIInChI=1S/C13H11NO3S/c1-14(12(15)11-7-4-8-18-11)10-6-3-2-5-9(10)13(16)17/h2-8H,1H3,(H,16,17)
InChIKeySAPHZHILWQDBSB-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.72
Rot. Bonds3

About 2-[methyl(thiophene-2-carbonyl)amino]benzoic acid

2-[methyl(thiophene-2-carbonyl)amino]benzoic acid (PubChem CID 750789) has the molecular formula C13H11NO3S and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-[methyl(thiophene-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[methyl(thiophene-2-carbonyl)amino]benzoic acid
PubChem CID750789
Molecular FormulaC13H11NO3S
Molecular Weight261.30 g/mol
Exact Mass261.05
IUPAC Name2-[methyl(thiophene-2-carbonyl)amino]benzoic acid
SMILESCN(C(=O)c1cccs1)c1ccccc1C(=O)O
InChIInChI=1S/C13H11NO3S/c1-14(12(15)11-7-4-8-18-11)10-6-3-2-5-9(10)13(16)17/h2-8H,1H3,(H,16,17)
InChIKeySAPHZHILWQDBSB-UHFFFAOYSA-N
XLogP2.72
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(thiophene-2-carbonyl)amino]benzoic acid?
The IUPAC name of 2-[methyl(thiophene-2-carbonyl)amino]benzoic acid (CID 750789) is 2-[methyl(thiophene-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-[methyl(thiophene-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-[methyl(thiophene-2-carbonyl)amino]benzoic acid is CN(C(=O)c1cccs1)c1ccccc1C(=O)O.
What is the InChIKey of 2-[methyl(thiophene-2-carbonyl)amino]benzoic acid?
The InChIKey is SAPHZHILWQDBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3S/c1-14(12(15)11-7-4-8-18-11)10-6-3-2-5-9(10)13(16)17/h2-8H,1H3,(H,16,17).
What are the key properties of 2-[methyl(thiophene-2-carbonyl)amino]benzoic acid?
2-[methyl(thiophene-2-carbonyl)amino]benzoic acid has a molecular weight of 261.30 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(thiophene-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 750789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).