5-[[4-(thiophene-2-carbonylamino)benzoyl]amino]benzene-1,3-dicarboxylic acid

C20H14N2O6S — CID 17296915

IUPAC5-[[4-(thiophene-2-carbonylamino)benzoyl]amino]benzene-1,3-dicarboxylic acid
SMILESO=C(O)c1cc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)cc(C(=O)O)c1
InChIInChI=1S/C20H14N2O6S/c23-17(22-15-9-12(19(25)26)8-13(10-15)20(27)28)11-3-5-14(6-4-11)21-18(24)16-2-1-7-29-16/h1-10H,(H,21,24)(H,22,23)(H,25,26)(H,27,28)
InChIKeyRKYFUPUVXULQIA-UHFFFAOYSA-N
MW410.41 g/mol
LogP3.65
Rot. Bonds6

About 5-[[4-(thiophene-2-carbonylamino)benzoyl]amino]benzene-1,3-dicarboxylic acid

5-[[4-(thiophene-2-carbonylamino)benzoyl]amino]benzene-1,3-dicarboxylic acid (PubChem CID 17296915) has the molecular formula C20H14N2O6S and a molecular weight of 410.41 g/mol. Its IUPAC name is 5-[[4-(thiophene-2-carbonylamino)benzoyl]amino]benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name5-[[4-(thiophene-2-carbonylamino)benzoyl]amino]benzene-1,3-dicarboxylic acid
PubChem CID17296915
Molecular FormulaC20H14N2O6S
Molecular Weight410.41 g/mol
Exact Mass410.06
IUPAC Name5-[[4-(thiophene-2-carbonylamino)benzoyl]amino]benzene-1,3-dicarboxylic acid
SMILESO=C(O)c1cc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)cc(C(=O)O)c1
InChIInChI=1S/C20H14N2O6S/c23-17(22-15-9-12(19(25)26)8-13(10-15)20(27)28)11-3-5-14(6-4-11)21-18(24)16-2-1-7-29-16/h1-10H,(H,21,24)(H,22,23)(H,25,26)(H,27,28)
InChIKeyRKYFUPUVXULQIA-UHFFFAOYSA-N
XLogP3.65
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.41
LogP ≤ 53.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 5-[[4-(thiophene-2-carbonylamino)benzoyl]amino]benzene-1,3-dicarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide
CID 1117998
N-(4-acetylphenyl)thiophene-2-carboxamide
CID 573780
N-[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 42122098
2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetic acid
CID 2731835
N-[4-[(2-anilinophenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 9154188
N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide
CID 67687159
N-[4-(benzylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 2979144
N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 51189018
N-[4-(piperidin-1-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 9272074
N-(4-sulfanylphenyl)thiophene-2-carboxamide
CID 27126639
N-[4-[(4-methylpiperazin-1-yl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 9205772
N-[4-[(N-methylanilino)carbamoyl]phenyl]thiophene-2-carboxamide
CID 9480193

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(thiophene-2-carbonylamino)benzoyl]amino]benzene-1,3-dicarboxylic acid?
The IUPAC name of 5-[[4-(thiophene-2-carbonylamino)benzoyl]amino]benzene-1,3-dicarboxylic acid (CID 17296915) is 5-[[4-(thiophene-2-carbonylamino)benzoyl]amino]benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 5-[[4-(thiophene-2-carbonylamino)benzoyl]amino]benzene-1,3-dicarboxylic acid?
The canonical SMILES for 5-[[4-(thiophene-2-carbonylamino)benzoyl]amino]benzene-1,3-dicarboxylic acid is O=C(O)c1cc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)cc(C(=O)O)c1.
What is the InChIKey of 5-[[4-(thiophene-2-carbonylamino)benzoyl]amino]benzene-1,3-dicarboxylic acid?
The InChIKey is RKYFUPUVXULQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O6S/c23-17(22-15-9-12(19(25)26)8-13(10-15)20(27)28)11-3-5-14(6-4-11)21-18(24)16-2-1-7-29-16/h1-10H,(H,21,24)(H,22,23)(H,25,26)(H,27,28).
What are the key properties of 5-[[4-(thiophene-2-carbonylamino)benzoyl]amino]benzene-1,3-dicarboxylic acid?
5-[[4-(thiophene-2-carbonylamino)benzoyl]amino]benzene-1,3-dicarboxylic acid has a molecular weight of 410.41 g/mol, XLogP of 3.65, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(thiophene-2-carbonylamino)benzoyl]amino]benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 17296915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).