4-[(3-methylthiophene-2-carbonyl)amino]benzoic acid

C13H11NO3S — CID 3236748

IUPAC4-[(3-methylthiophene-2-carbonyl)amino]benzoic acid
SMILESCc1ccsc1C(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C13H11NO3S/c1-8-6-7-18-11(8)12(15)14-10-4-2-9(3-5-10)13(16)17/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKeySGXQKRKDJKZDNF-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.01
Rot. Bonds3

About 4-[(3-methylthiophene-2-carbonyl)amino]benzoic acid

4-[(3-methylthiophene-2-carbonyl)amino]benzoic acid (PubChem CID 3236748) has the molecular formula C13H11NO3S and a molecular weight of 261.30 g/mol. Its IUPAC name is 4-[(3-methylthiophene-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(3-methylthiophene-2-carbonyl)amino]benzoic acid
PubChem CID3236748
Molecular FormulaC13H11NO3S
Molecular Weight261.30 g/mol
Exact Mass261.05
IUPAC Name4-[(3-methylthiophene-2-carbonyl)amino]benzoic acid
SMILESCc1ccsc1C(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C13H11NO3S/c1-8-6-7-18-11(8)12(15)14-10-4-2-9(3-5-10)13(16)17/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKeySGXQKRKDJKZDNF-UHFFFAOYSA-N
XLogP3.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylthiophene-2-carbonyl)amino]benzoic acid?
The IUPAC name of 4-[(3-methylthiophene-2-carbonyl)amino]benzoic acid (CID 3236748) is 4-[(3-methylthiophene-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-[(3-methylthiophene-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-[(3-methylthiophene-2-carbonyl)amino]benzoic acid is Cc1ccsc1C(=O)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(3-methylthiophene-2-carbonyl)amino]benzoic acid?
The InChIKey is SGXQKRKDJKZDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3S/c1-8-6-7-18-11(8)12(15)14-10-4-2-9(3-5-10)13(16)17/h2-7H,1H3,(H,14,15)(H,16,17).
What are the key properties of 4-[(3-methylthiophene-2-carbonyl)amino]benzoic acid?
4-[(3-methylthiophene-2-carbonyl)amino]benzoic acid has a molecular weight of 261.30 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylthiophene-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 3236748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).