2-[[3-(thiophene-2-carbonylamino)benzoyl]amino]benzoic acid

C19H14N2O4S — CID 1364463

IUPAC2-[[3-(thiophene-2-carbonylamino)benzoyl]amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C19H14N2O4S/c22-17(21-15-8-2-1-7-14(15)19(24)25)12-5-3-6-13(11-12)20-18(23)16-9-4-10-26-16/h1-11H,(H,20,23)(H,21,22)(H,24,25)
InChIKeyDLRCKOVAXSMTFD-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.95
Rot. Bonds5

About 2-[[3-(thiophene-2-carbonylamino)benzoyl]amino]benzoic acid

2-[[3-(thiophene-2-carbonylamino)benzoyl]amino]benzoic acid (PubChem CID 1364463) has the molecular formula C19H14N2O4S and a molecular weight of 366.40 g/mol. Its IUPAC name is 2-[[3-(thiophene-2-carbonylamino)benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[3-(thiophene-2-carbonylamino)benzoyl]amino]benzoic acid
PubChem CID1364463
Molecular FormulaC19H14N2O4S
Molecular Weight366.40 g/mol
Exact Mass366.07
IUPAC Name2-[[3-(thiophene-2-carbonylamino)benzoyl]amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C19H14N2O4S/c22-17(21-15-8-2-1-7-14(15)19(24)25)12-5-3-6-13(11-12)20-18(23)16-9-4-10-26-16/h1-11H,(H,20,23)(H,21,22)(H,24,25)
InChIKeyDLRCKOVAXSMTFD-UHFFFAOYSA-N
XLogP3.95
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Thiophene-2-amido)benzoic acid
CID 746807
4-phenyl-2-[(2E)-3-(thiophen-2-yl)prop-2-enamido]thiophene-3-carboxylic acid
CID 1177253
2-(Thiophene-2-amido)benzoic acid
CID 643302
3-[(4-phenylphenyl)carbamoyl]thiophene-2-carboxylic Acid
CID 9861992
2-Benzamido-5-phenylthiophene-3-carboxylic acid
CID 709215
5-Acetamido-2-(2-carboxyphenylthio)benzoic acid
CID 2824963
2-(4-Fluoro-benzoylamino)-4-phenyl-thiophene-3-carboxylic acid
CID 829695
4-Methyl-3-[(thiophen-2-ylcarbonyl)amino]benzoic acid
CID 743768
2-(N-methylthiophene-2-amido)benzoic acid
CID 750789
2-(thiophen-3-ylmethylamino)benzoic Acid
CID 1939718
2-((2-Carbamoylsulfanylacetyl)amino)benzoic acid
CID 224665
2-(4-Methylbenzamido)-4-phenylthiophene-3-carboxylic acid
CID 709222

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(thiophene-2-carbonylamino)benzoyl]amino]benzoic acid?
The IUPAC name of 2-[[3-(thiophene-2-carbonylamino)benzoyl]amino]benzoic acid (CID 1364463) is 2-[[3-(thiophene-2-carbonylamino)benzoyl]amino]benzoic acid.
What is the SMILES notation for 2-[[3-(thiophene-2-carbonylamino)benzoyl]amino]benzoic acid?
The canonical SMILES for 2-[[3-(thiophene-2-carbonylamino)benzoyl]amino]benzoic acid is O=C(Nc1ccccc1C(=O)O)c1cccc(NC(=O)c2cccs2)c1.
What is the InChIKey of 2-[[3-(thiophene-2-carbonylamino)benzoyl]amino]benzoic acid?
The InChIKey is DLRCKOVAXSMTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4S/c22-17(21-15-8-2-1-7-14(15)19(24)25)12-5-3-6-13(11-12)20-18(23)16-9-4-10-26-16/h1-11H,(H,20,23)(H,21,22)(H,24,25).
What are the key properties of 2-[[3-(thiophene-2-carbonylamino)benzoyl]amino]benzoic acid?
2-[[3-(thiophene-2-carbonylamino)benzoyl]amino]benzoic acid has a molecular weight of 366.40 g/mol, XLogP of 3.95, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(thiophene-2-carbonylamino)benzoyl]amino]benzoic acid is sourced from PubChem (CID 1364463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).