2-oxo-1-(2-thiophen-2-ylethyl)-3H-indole-6-carboxylic acid

C15H13NO3S — CID 102710944

IUPAC2-oxo-1-(2-thiophen-2-ylethyl)-3H-indole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)N(CCc1cccs1)C(=O)C2
InChIInChI=1S/C15H13NO3S/c17-14-9-10-3-4-11(15(18)19)8-13(10)16(14)6-5-12-2-1-7-20-12/h1-4,7-8H,5-6,9H2,(H,18,19)
InChIKeyZGDYGDJKTLXKIM-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.58
Rot. Bonds4

About 2-oxo-1-(2-thiophen-2-ylethyl)-3H-indole-6-carboxylic acid

2-oxo-1-(2-thiophen-2-ylethyl)-3H-indole-6-carboxylic acid (PubChem CID 102710944) has the molecular formula C15H13NO3S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-oxo-1-(2-thiophen-2-ylethyl)-3H-indole-6-carboxylic acid.

Molecular Properties

Compound Name2-oxo-1-(2-thiophen-2-ylethyl)-3H-indole-6-carboxylic acid
PubChem CID102710944
Molecular FormulaC15H13NO3S
Molecular Weight287.34 g/mol
Exact Mass287.06
IUPAC Name2-oxo-1-(2-thiophen-2-ylethyl)-3H-indole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)N(CCc1cccs1)C(=O)C2
InChIInChI=1S/C15H13NO3S/c17-14-9-10-3-4-11(15(18)19)8-13(10)16(14)6-5-12-2-1-7-20-12/h1-4,7-8H,5-6,9H2,(H,18,19)
InChIKeyZGDYGDJKTLXKIM-UHFFFAOYSA-N
XLogP2.58
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxo-1-(2-thiophen-2-ylethyl)pyridine-4-carboxylic acid
CID 82901967
4-[2-(2-methoxyethylamino)acetyl]-2-oxo-1-(2-thiophen-2-ylethyl)-3H-quinoxaline-6-carboxylic acid
CID 134084811
1-(2-thiophen-2-ylethyl)indole-5-carboxylic acid
CID 63775889
1-[2-(2-methylpropoxy)ethyl]-2-oxo-3H-indole-6-carboxylic acid
CID 106453920
1-[(E)-3-chloroprop-2-enyl]-2-oxo-3H-indole-6-carboxylic acid
CID 102710959
1-[(5-methylfuran-2-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid
CID 102710960
1-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid
CID 102711009
1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid
CID 102711027
1-(2-thiophen-2-ylethyl)piperidine-2,4-dione
CID 79516632
4-methyl-1-(2-thiophen-2-ylethyl)piperidine-2,6-dione
CID 13455297
7-amino-4-(2-thiophen-2-ylethyl)-1,4-benzoxazin-3-one
CID 63773986
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione
CID 9401579

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-(2-thiophen-2-ylethyl)-3H-indole-6-carboxylic acid?
The IUPAC name of 2-oxo-1-(2-thiophen-2-ylethyl)-3H-indole-6-carboxylic acid (CID 102710944) is 2-oxo-1-(2-thiophen-2-ylethyl)-3H-indole-6-carboxylic acid.
What is the SMILES notation for 2-oxo-1-(2-thiophen-2-ylethyl)-3H-indole-6-carboxylic acid?
The canonical SMILES for 2-oxo-1-(2-thiophen-2-ylethyl)-3H-indole-6-carboxylic acid is O=C(O)c1ccc2c(c1)N(CCc1cccs1)C(=O)C2.
What is the InChIKey of 2-oxo-1-(2-thiophen-2-ylethyl)-3H-indole-6-carboxylic acid?
The InChIKey is ZGDYGDJKTLXKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3S/c17-14-9-10-3-4-11(15(18)19)8-13(10)16(14)6-5-12-2-1-7-20-12/h1-4,7-8H,5-6,9H2,(H,18,19).
What are the key properties of 2-oxo-1-(2-thiophen-2-ylethyl)-3H-indole-6-carboxylic acid?
2-oxo-1-(2-thiophen-2-ylethyl)-3H-indole-6-carboxylic acid has a molecular weight of 287.34 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-(2-thiophen-2-ylethyl)-3H-indole-6-carboxylic acid is sourced from PubChem (CID 102710944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).