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

C19H14N2O4S — CID 1217028

IUPAC3-[[3-(thiophene-2-carbonylamino)benzoyl]amino]benzoic acid
SMILESO=C(O)c1cccc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)c1
InChIInChI=1S/C19H14N2O4S/c22-17(20-15-7-2-5-13(11-15)19(24)25)12-4-1-6-14(10-12)21-18(23)16-8-3-9-26-16/h1-11H,(H,20,22)(H,21,23)(H,24,25)
InChIKeyXROMSNNVKZCXLL-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.95
Rot. Bonds5

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

3-[[3-(thiophene-2-carbonylamino)benzoyl]amino]benzoic acid (PubChem CID 1217028) has the molecular formula C19H14N2O4S and a molecular weight of 366.40 g/mol. Its IUPAC name is 3-[[3-(thiophene-2-carbonylamino)benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name3-[[3-(thiophene-2-carbonylamino)benzoyl]amino]benzoic acid
PubChem CID1217028
Molecular FormulaC19H14N2O4S
Molecular Weight366.40 g/mol
Exact Mass366.07
IUPAC Name3-[[3-(thiophene-2-carbonylamino)benzoyl]amino]benzoic acid
SMILESO=C(O)c1cccc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)c1
InChIInChI=1S/C19H14N2O4S/c22-17(20-15-7-2-5-13(11-15)19(24)25)12-4-1-6-14(10-12)21-18(23)16-8-3-9-26-16/h1-11H,(H,20,22)(H,21,23)(H,24,25)
InChIKeyXROMSNNVKZCXLL-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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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(thiophene-2-carbonylamino)benzoyl]amino]benzoic acid?
The IUPAC name of 3-[[3-(thiophene-2-carbonylamino)benzoyl]amino]benzoic acid (CID 1217028) is 3-[[3-(thiophene-2-carbonylamino)benzoyl]amino]benzoic acid.
What is the SMILES notation for 3-[[3-(thiophene-2-carbonylamino)benzoyl]amino]benzoic acid?
The canonical SMILES for 3-[[3-(thiophene-2-carbonylamino)benzoyl]amino]benzoic acid is O=C(O)c1cccc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)c1.
What is the InChIKey of 3-[[3-(thiophene-2-carbonylamino)benzoyl]amino]benzoic acid?
The InChIKey is XROMSNNVKZCXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4S/c22-17(20-15-7-2-5-13(11-15)19(24)25)12-4-1-6-14(10-12)21-18(23)16-8-3-9-26-16/h1-11H,(H,20,22)(H,21,23)(H,24,25).
What are the key properties of 3-[[3-(thiophene-2-carbonylamino)benzoyl]amino]benzoic acid?
3-[[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 3-[[3-(thiophene-2-carbonylamino)benzoyl]amino]benzoic acid is sourced from PubChem (CID 1217028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).