3,5-bis(thiophene-2-carbonylamino)benzoic acid

C17H12N2O4S2 — CID 2058193

IUPAC3,5-bis(thiophene-2-carbonylamino)benzoic acid
SMILESO=C(O)c1cc(NC(=O)c2cccs2)cc(NC(=O)c2cccs2)c1
InChIInChI=1S/C17H12N2O4S2/c20-15(13-3-1-5-24-13)18-11-7-10(17(22)23)8-12(9-11)19-16(21)14-4-2-6-25-14/h1-9H,(H,18,20)(H,19,21)(H,22,23)
InChIKeyPJBIWTMHWHUAIQ-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.01
Rot. Bonds5

About 3,5-bis(thiophene-2-carbonylamino)benzoic acid

3,5-bis(thiophene-2-carbonylamino)benzoic acid (PubChem CID 2058193) has the molecular formula C17H12N2O4S2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 3,5-bis(thiophene-2-carbonylamino)benzoic acid.

Molecular Properties

Compound Name3,5-bis(thiophene-2-carbonylamino)benzoic acid
PubChem CID2058193
Molecular FormulaC17H12N2O4S2
Molecular Weight372.43 g/mol
Exact Mass372.02
IUPAC Name3,5-bis(thiophene-2-carbonylamino)benzoic acid
SMILESO=C(O)c1cc(NC(=O)c2cccs2)cc(NC(=O)c2cccs2)c1
InChIInChI=1S/C17H12N2O4S2/c20-15(13-3-1-5-24-13)18-11-7-10(17(22)23)8-12(9-11)19-16(21)14-4-2-6-25-14/h1-9H,(H,18,20)(H,19,21)(H,22,23)
InChIKeyPJBIWTMHWHUAIQ-UHFFFAOYSA-N
XLogP4.01
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(thiophene-2-carbonylamino)benzoic acid?
The IUPAC name of 3,5-bis(thiophene-2-carbonylamino)benzoic acid (CID 2058193) is 3,5-bis(thiophene-2-carbonylamino)benzoic acid.
What is the SMILES notation for 3,5-bis(thiophene-2-carbonylamino)benzoic acid?
The canonical SMILES for 3,5-bis(thiophene-2-carbonylamino)benzoic acid is O=C(O)c1cc(NC(=O)c2cccs2)cc(NC(=O)c2cccs2)c1.
What is the InChIKey of 3,5-bis(thiophene-2-carbonylamino)benzoic acid?
The InChIKey is PJBIWTMHWHUAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O4S2/c20-15(13-3-1-5-24-13)18-11-7-10(17(22)23)8-12(9-11)19-16(21)14-4-2-6-25-14/h1-9H,(H,18,20)(H,19,21)(H,22,23).
What are the key properties of 3,5-bis(thiophene-2-carbonylamino)benzoic acid?
3,5-bis(thiophene-2-carbonylamino)benzoic acid has a molecular weight of 372.43 g/mol, XLogP of 4.01, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(thiophene-2-carbonylamino)benzoic acid is sourced from PubChem (CID 2058193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).