2-(2,3-dihydro-1H-inden-1-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)acetamide

C17H24N2O3S — CID 50984766

IUPAC2-(2,3-dihydro-1H-inden-1-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)acetamide
SMILESO=C(CC1CCc2ccccc21)NCCS(=O)(=O)N1CCCC1
InChIInChI=1S/C17H24N2O3S/c20-17(13-15-8-7-14-5-1-2-6-16(14)15)18-9-12-23(21,22)19-10-3-4-11-19/h1-2,5-6,15H,3-4,7-13H2,(H,18,20)
InChIKeyZNEIYAHIXIEGDG-UHFFFAOYSA-N
MW336.46 g/mol
LogP1.65
Rot. Bonds6

About 2-(2,3-dihydro-1H-inden-1-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)acetamide

2-(2,3-dihydro-1H-inden-1-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)acetamide (PubChem CID 50984766) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-1-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-1-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)acetamide
PubChem CID50984766
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name2-(2,3-dihydro-1H-inden-1-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)acetamide
SMILESO=C(CC1CCc2ccccc21)NCCS(=O)(=O)N1CCCC1
InChIInChI=1S/C17H24N2O3S/c20-17(13-15-8-7-14-5-1-2-6-16(14)15)18-9-12-23(21,22)19-10-3-4-11-19/h1-2,5-6,15H,3-4,7-13H2,(H,18,20)
InChIKeyZNEIYAHIXIEGDG-UHFFFAOYSA-N
XLogP1.65
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)acetamide (CID 50984766) is 2-(2,3-dihydro-1H-inden-1-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-1-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-1-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)acetamide is O=C(CC1CCc2ccccc21)NCCS(=O)(=O)N1CCCC1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-1-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)acetamide?
The InChIKey is ZNEIYAHIXIEGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c20-17(13-15-8-7-14-5-1-2-6-16(14)15)18-9-12-23(21,22)19-10-3-4-11-19/h1-2,5-6,15H,3-4,7-13H2,(H,18,20).
What are the key properties of 2-(2,3-dihydro-1H-inden-1-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)acetamide?
2-(2,3-dihydro-1H-inden-1-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)acetamide has a molecular weight of 336.46 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-1-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)acetamide is sourced from PubChem (CID 50984766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).