4-methyl-3-(thiophene-2-carbonylamino)benzoic acid

C13H11NO3S — CID 743768

IUPAC4-methyl-3-(thiophene-2-carbonylamino)benzoic acid
SMILESCc1ccc(C(=O)O)cc1NC(=O)c1cccs1
InChIInChI=1S/C13H11NO3S/c1-8-4-5-9(13(16)17)7-10(8)14-12(15)11-3-2-6-18-11/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKeyDRUFFVMRPBNBPZ-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.01
Rot. Bonds3

About 4-methyl-3-(thiophene-2-carbonylamino)benzoic acid

4-methyl-3-(thiophene-2-carbonylamino)benzoic acid (PubChem CID 743768) has the molecular formula C13H11NO3S and a molecular weight of 261.30 g/mol. Its IUPAC name is 4-methyl-3-(thiophene-2-carbonylamino)benzoic acid.

Molecular Properties

Compound Name4-methyl-3-(thiophene-2-carbonylamino)benzoic acid
PubChem CID743768
Molecular FormulaC13H11NO3S
Molecular Weight261.30 g/mol
Exact Mass261.05
IUPAC Name4-methyl-3-(thiophene-2-carbonylamino)benzoic acid
SMILESCc1ccc(C(=O)O)cc1NC(=O)c1cccs1
InChIInChI=1S/C13H11NO3S/c1-8-4-5-9(13(16)17)7-10(8)14-12(15)11-3-2-6-18-11/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKeyDRUFFVMRPBNBPZ-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-methyl-3-(thiophene-2-carbonylamino)benzoic acid?
The IUPAC name of 4-methyl-3-(thiophene-2-carbonylamino)benzoic acid (CID 743768) is 4-methyl-3-(thiophene-2-carbonylamino)benzoic acid.
What is the SMILES notation for 4-methyl-3-(thiophene-2-carbonylamino)benzoic acid?
The canonical SMILES for 4-methyl-3-(thiophene-2-carbonylamino)benzoic acid is Cc1ccc(C(=O)O)cc1NC(=O)c1cccs1.
What is the InChIKey of 4-methyl-3-(thiophene-2-carbonylamino)benzoic acid?
The InChIKey is DRUFFVMRPBNBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3S/c1-8-4-5-9(13(16)17)7-10(8)14-12(15)11-3-2-6-18-11/h2-7H,1H3,(H,14,15)(H,16,17).
What are the key properties of 4-methyl-3-(thiophene-2-carbonylamino)benzoic acid?
4-methyl-3-(thiophene-2-carbonylamino)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-methyl-3-(thiophene-2-carbonylamino)benzoic acid is sourced from PubChem (CID 743768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).