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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Related Compounds

2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(3-sulfamoylpropyl)acetamide
CID 96551201
N-[2-[[2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetyl]amino]ethyl]-2,2,2-trifluoroacetamide
CID 95227390
4-[[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]butanoic acid
CID 119170863
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)acetamide
CID 97149001
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 97118131
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(2-pyridin-4-ylethyl)acetamide
CID 97149134
2-(2,3-dihydro-1H-inden-1-yl)-N-(3-phenoxypropyl)acetamide
CID 86955466
2-(2,3-dihydro-1H-inden-1-yl)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)ethanone
CID 138809140
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-imidazol-1-ylethyl)acetamide
CID 95125863
N-[1-(benzenesulfonyl)piperidin-4-yl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 74238551
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 95986947
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 95986948

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).