2-(2,3-dihydro-1H-inden-5-yloxy)-N-pyridin-3-ylsulfonylacetamide

C16H16N2O4S — CID 71941136

IUPAC2-(2,3-dihydro-1H-inden-5-yloxy)-N-pyridin-3-ylsulfonylacetamide
SMILESO=C(COc1ccc2c(c1)CCC2)NS(=O)(=O)c1cccnc1
InChIInChI=1S/C16H16N2O4S/c19-16(18-23(20,21)15-5-2-8-17-10-15)11-22-14-7-6-12-3-1-4-13(12)9-14/h2,5-10H,1,3-4,11H2,(H,18,19)
InChIKeyCIYQSSHIPLVOKP-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.45
Rot. Bonds5

About 2-(2,3-dihydro-1H-inden-5-yloxy)-N-pyridin-3-ylsulfonylacetamide

2-(2,3-dihydro-1H-inden-5-yloxy)-N-pyridin-3-ylsulfonylacetamide (PubChem CID 71941136) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yloxy)-N-pyridin-3-ylsulfonylacetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yloxy)-N-pyridin-3-ylsulfonylacetamide
PubChem CID71941136
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Name2-(2,3-dihydro-1H-inden-5-yloxy)-N-pyridin-3-ylsulfonylacetamide
SMILESO=C(COc1ccc2c(c1)CCC2)NS(=O)(=O)c1cccnc1
InChIInChI=1S/C16H16N2O4S/c19-16(18-23(20,21)15-5-2-8-17-10-15)11-22-14-7-6-12-3-1-4-13(12)9-14/h2,5-10H,1,3-4,11H2,(H,18,19)
InChIKeyCIYQSSHIPLVOKP-UHFFFAOYSA-N
XLogP1.45
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2,3-dihydro-1H-inden-5-yloxy)-N-pyridin-3-ylsulfonylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-pyridin-3-ylsulfonylacetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-pyridin-3-ylsulfonylacetamide (CID 71941136) is 2-(2,3-dihydro-1H-inden-5-yloxy)-N-pyridin-3-ylsulfonylacetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-pyridin-3-ylsulfonylacetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-pyridin-3-ylsulfonylacetamide is O=C(COc1ccc2c(c1)CCC2)NS(=O)(=O)c1cccnc1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-pyridin-3-ylsulfonylacetamide?
The InChIKey is CIYQSSHIPLVOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c19-16(18-23(20,21)15-5-2-8-17-10-15)11-22-14-7-6-12-3-1-4-13(12)9-14/h2,5-10H,1,3-4,11H2,(H,18,19).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-pyridin-3-ylsulfonylacetamide?
2-(2,3-dihydro-1H-inden-5-yloxy)-N-pyridin-3-ylsulfonylacetamide has a molecular weight of 332.38 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-pyridin-3-ylsulfonylacetamide is sourced from PubChem (CID 71941136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).