2-(2,3-dihydro-1H-inden-5-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide

C17H23NO3S — CID 110767302

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
SMILESCCN(C(=O)Cc1ccc2c(c1)CCC2)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H23NO3S/c1-2-18(16-8-9-22(20,21)12-16)17(19)11-13-6-7-14-4-3-5-15(14)10-13/h6-7,10,16H,2-5,8-9,11-12H2,1H3
InChIKeyFVGVQZVSKZRDBM-UHFFFAOYSA-N
MW321.44 g/mol
LogP1.75
Rot. Bonds4

About 2-(2,3-dihydro-1H-inden-5-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide

2-(2,3-dihydro-1H-inden-5-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide (PubChem CID 110767302) has the molecular formula C17H23NO3S and a molecular weight of 321.44 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
PubChem CID110767302
Molecular FormulaC17H23NO3S
Molecular Weight321.44 g/mol
Exact Mass321.14
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
SMILESCCN(C(=O)Cc1ccc2c(c1)CCC2)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H23NO3S/c1-2-18(16-8-9-22(20,21)12-16)17(19)11-13-6-7-14-4-3-5-15(14)10-13/h6-7,10,16H,2-5,8-9,11-12H2,1H3
InChIKeyFVGVQZVSKZRDBM-UHFFFAOYSA-N
XLogP1.75
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 110673907
N-(1,1-dioxothiolan-3-yl)-N-prop-2-enyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 60560710
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetamide
CID 8891900
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 110772120
[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
CID 7597370
[(2S)-1-[[(3S)-1,1-dioxothiolan-3-yl]-ethylamino]-1-oxopropan-2-yl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 8732676
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(1H-pyrrol-2-yl)acetamide
CID 110690842
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 110700040
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[ethyl(methyl)amino]acetamide
CID 60516837
[1-[(1,1-dioxothiolan-3-yl)-ethylamino]-1-oxopropan-2-yl] 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate
CID 55423994
N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 78831570
N-cyclobutyl-N-(2-hydroxyethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide (CID 110767302) is 2-(2,3-dihydro-1H-inden-5-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide is CCN(C(=O)Cc1ccc2c(c1)CCC2)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?
The InChIKey is FVGVQZVSKZRDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3S/c1-2-18(16-8-9-22(20,21)12-16)17(19)11-13-6-7-14-4-3-5-15(14)10-13/h6-7,10,16H,2-5,8-9,11-12H2,1H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?
2-(2,3-dihydro-1H-inden-5-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide has a molecular weight of 321.44 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide is sourced from PubChem (CID 110767302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).