2-benzamido-4-cyclopropylthiophene-3-carboxylic acid

C15H13NO3S — CID 139402341

IUPAC2-benzamido-4-cyclopropylthiophene-3-carboxylic acid
SMILESO=C(Nc1scc(C2CC2)c1C(=O)O)c1ccccc1
InChIInChI=1S/C15H13NO3S/c17-13(10-4-2-1-3-5-10)16-14-12(15(18)19)11(8-20-14)9-6-7-9/h1-5,8-9H,6-7H2,(H,16,17)(H,18,19)
InChIKeyGRSBSJXOQUKTKY-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.58
Rot. Bonds4

About 2-benzamido-4-cyclopropylthiophene-3-carboxylic acid

2-benzamido-4-cyclopropylthiophene-3-carboxylic acid (PubChem CID 139402341) has the molecular formula C15H13NO3S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-benzamido-4-cyclopropylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-benzamido-4-cyclopropylthiophene-3-carboxylic acid
PubChem CID139402341
Molecular FormulaC15H13NO3S
Molecular Weight287.34 g/mol
Exact Mass287.06
IUPAC Name2-benzamido-4-cyclopropylthiophene-3-carboxylic acid
SMILESO=C(Nc1scc(C2CC2)c1C(=O)O)c1ccccc1
InChIInChI=1S/C15H13NO3S/c17-13(10-4-2-1-3-5-10)16-14-12(15(18)19)11(8-20-14)9-6-7-9/h1-5,8-9H,6-7H2,(H,16,17)(H,18,19)
InChIKeyGRSBSJXOQUKTKY-UHFFFAOYSA-N
XLogP3.58
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzamido-4-cyclopropylthiophene-3-carboxylic acid?
The IUPAC name of 2-benzamido-4-cyclopropylthiophene-3-carboxylic acid (CID 139402341) is 2-benzamido-4-cyclopropylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-benzamido-4-cyclopropylthiophene-3-carboxylic acid?
The canonical SMILES for 2-benzamido-4-cyclopropylthiophene-3-carboxylic acid is O=C(Nc1scc(C2CC2)c1C(=O)O)c1ccccc1.
What is the InChIKey of 2-benzamido-4-cyclopropylthiophene-3-carboxylic acid?
The InChIKey is GRSBSJXOQUKTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3S/c17-13(10-4-2-1-3-5-10)16-14-12(15(18)19)11(8-20-14)9-6-7-9/h1-5,8-9H,6-7H2,(H,16,17)(H,18,19).
What are the key properties of 2-benzamido-4-cyclopropylthiophene-3-carboxylic acid?
2-benzamido-4-cyclopropylthiophene-3-carboxylic acid has a molecular weight of 287.34 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-4-cyclopropylthiophene-3-carboxylic acid is sourced from PubChem (CID 139402341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).