[1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate

C22H20N2O3S — CID 46794132

IUPAC[1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate
SMILESCC(OC(=O)CSc1cnc2ccccc2n1)C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C22H20N2O3S/c1-14(22(26)17-10-9-15-5-4-6-16(15)11-17)27-21(25)13-28-20-12-23-18-7-2-3-8-19(18)24-20/h2-3,7-12,14H,4-6,13H2,1H3
InChIKeyLZYVMSCPVWOLJZ-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.03
Rot. Bonds6

About [1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate

[1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate (PubChem CID 46794132) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is [1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate.

Molecular Properties

Compound Name[1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate
PubChem CID46794132
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC Name[1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate
SMILESCC(OC(=O)CSc1cnc2ccccc2n1)C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C22H20N2O3S/c1-14(22(26)17-10-9-15-5-4-6-16(15)11-17)27-21(25)13-28-20-12-23-18-7-2-3-8-19(18)24-20/h2-3,7-12,14H,4-6,13H2,1H3
InChIKeyLZYVMSCPVWOLJZ-UHFFFAOYSA-N
XLogP4.03
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate with MolForge

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

Launch Full Analysis

Related Compounds

[1-(4-acetylanilino)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate
CID 46794232
[(2S)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate
CID 98595933
[(2S)-1-[[(1S,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate
CID 124725044
[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-(naphthalene-2-carbonylamino)acetate
CID 7881130
[(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate
CID 7645429
[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-(4-methylquinolin-2-yl)sulfanylacetate
CID 7175247
[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate
CID 46794119
[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 7839828
[1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate
CID 46794172
[(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-(3-methyl-4-oxophthalazin-1-yl)acetate
CID 30368942
[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-quinoxalin-2-ylsulfanylacetate
CID 33485557
[(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 30545472

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate?
The IUPAC name of [1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate (CID 46794132) is [1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate.
What is the SMILES notation for [1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate?
The canonical SMILES for [1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate is CC(OC(=O)CSc1cnc2ccccc2n1)C(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of [1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate?
The InChIKey is LZYVMSCPVWOLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S/c1-14(22(26)17-10-9-15-5-4-6-16(15)11-17)27-21(25)13-28-20-12-23-18-7-2-3-8-19(18)24-20/h2-3,7-12,14H,4-6,13H2,1H3.
What are the key properties of [1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate?
[1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate has a molecular weight of 392.48 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate is sourced from PubChem (CID 46794132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).