2-benzamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid

C15H13NO3S — CID 722255

IUPAC2-benzamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
SMILESO=C(Nc1sc2c(c1C(=O)O)CCC2)c1ccccc1
InChIInChI=1S/C15H13NO3S/c17-13(9-5-2-1-3-6-9)16-14-12(15(18)19)10-7-4-8-11(10)20-14/h1-3,5-6H,4,7-8H2,(H,16,17)(H,18,19)
InChIKeyJEEWRTJYBDZVBA-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.19
Rot. Bonds3

About 2-benzamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid

2-benzamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid (PubChem CID 722255) has the molecular formula C15H13NO3S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-benzamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-benzamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
PubChem CID722255
Molecular FormulaC15H13NO3S
Molecular Weight287.34 g/mol
Exact Mass287.06
IUPAC Name2-benzamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
SMILESO=C(Nc1sc2c(c1C(=O)O)CCC2)c1ccccc1
InChIInChI=1S/C15H13NO3S/c17-13(9-5-2-1-3-6-9)16-14-12(15(18)19)10-7-4-8-11(10)20-14/h1-3,5-6H,4,7-8H2,(H,16,17)(H,18,19)
InChIKeyJEEWRTJYBDZVBA-UHFFFAOYSA-N
XLogP3.19
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid?
The IUPAC name of 2-benzamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid (CID 722255) is 2-benzamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-benzamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid?
The canonical SMILES for 2-benzamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid is O=C(Nc1sc2c(c1C(=O)O)CCC2)c1ccccc1.
What is the InChIKey of 2-benzamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid?
The InChIKey is JEEWRTJYBDZVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3S/c17-13(9-5-2-1-3-6-9)16-14-12(15(18)19)10-7-4-8-11(10)20-14/h1-3,5-6H,4,7-8H2,(H,16,17)(H,18,19).
What are the key properties of 2-benzamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid?
2-benzamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid has a molecular weight of 287.34 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid is sourced from PubChem (CID 722255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).