3-(2,3-dihydro-1H-indene-2-carbonylamino)thiophene-2-carboxylic acid

C15H13NO3S — CID 106892313

IUPAC3-(2,3-dihydro-1H-indene-2-carbonylamino)thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1NC(=O)C1Cc2ccccc2C1
InChIInChI=1S/C15H13NO3S/c17-14(16-12-5-6-20-13(12)15(18)19)11-7-9-3-1-2-4-10(9)8-11/h1-6,11H,7-8H2,(H,16,17)(H,18,19)
InChIKeyBDGFOXJBLHLZFG-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.80
Rot. Bonds3

About 3-(2,3-dihydro-1H-indene-2-carbonylamino)thiophene-2-carboxylic acid

3-(2,3-dihydro-1H-indene-2-carbonylamino)thiophene-2-carboxylic acid (PubChem CID 106892313) has the molecular formula C15H13NO3S and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-indene-2-carbonylamino)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-indene-2-carbonylamino)thiophene-2-carboxylic acid
PubChem CID106892313
Molecular FormulaC15H13NO3S
Molecular Weight287.34 g/mol
Exact Mass287.06
IUPAC Name3-(2,3-dihydro-1H-indene-2-carbonylamino)thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1NC(=O)C1Cc2ccccc2C1
InChIInChI=1S/C15H13NO3S/c17-14(16-12-5-6-20-13(12)15(18)19)11-7-9-3-1-2-4-10(9)8-11/h1-6,11H,7-8H2,(H,16,17)(H,18,19)
InChIKeyBDGFOXJBLHLZFG-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-2,3-dihydro-1H-indene-2-carboxamide
CID 112520410
N-[2-(hydroxymethyl)phenyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106893200
N-(2-acetylphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106703126
3-[(1-carbamoylpiperidine-3-carbonyl)amino]thiophene-2-carboxylic acid
CID 43171793
N-(2-cyanophenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106737104
N-(2,5-dimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112520928
N-(2-hydroxy-4-methylphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106703052
N-(2,4-dimethylphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112522893
N-(2,5-dimethylphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112520843
N-(2,6-dichlorophenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112525347
N-[2-(methylaminomethyl)phenyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106893270
N-[2-(1-bromoethyl)phenyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106894275

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-indene-2-carbonylamino)thiophene-2-carboxylic acid?
The IUPAC name of 3-(2,3-dihydro-1H-indene-2-carbonylamino)thiophene-2-carboxylic acid (CID 106892313) is 3-(2,3-dihydro-1H-indene-2-carbonylamino)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-(2,3-dihydro-1H-indene-2-carbonylamino)thiophene-2-carboxylic acid?
The canonical SMILES for 3-(2,3-dihydro-1H-indene-2-carbonylamino)thiophene-2-carboxylic acid is O=C(O)c1sccc1NC(=O)C1Cc2ccccc2C1.
What is the InChIKey of 3-(2,3-dihydro-1H-indene-2-carbonylamino)thiophene-2-carboxylic acid?
The InChIKey is BDGFOXJBLHLZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3S/c17-14(16-12-5-6-20-13(12)15(18)19)11-7-9-3-1-2-4-10(9)8-11/h1-6,11H,7-8H2,(H,16,17)(H,18,19).
What are the key properties of 3-(2,3-dihydro-1H-indene-2-carbonylamino)thiophene-2-carboxylic acid?
3-(2,3-dihydro-1H-indene-2-carbonylamino)thiophene-2-carboxylic acid has a molecular weight of 287.34 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-indene-2-carbonylamino)thiophene-2-carboxylic acid is sourced from PubChem (CID 106892313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).