[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-quinoxalin-2-ylsulfanylacetate

C21H19N3O3S — CID 46825293

IUPAC[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-quinoxalin-2-ylsulfanylacetate
SMILESO=C(CSc1cnc2ccccc2n1)OC(C(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C21H19N3O3S/c25-19(13-28-18-12-22-16-8-4-5-9-17(16)24-18)27-20(14-6-2-1-3-7-14)21(26)23-15-10-11-15/h1-9,12,15,20H,10-11,13H2,(H,23,26)
InChIKeyDQHFCTHKOOWHHO-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.29
Rot. Bonds7

About [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-quinoxalin-2-ylsulfanylacetate

[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-quinoxalin-2-ylsulfanylacetate (PubChem CID 46825293) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-quinoxalin-2-ylsulfanylacetate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-quinoxalin-2-ylsulfanylacetate
PubChem CID46825293
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC Name[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-quinoxalin-2-ylsulfanylacetate
SMILESO=C(CSc1cnc2ccccc2n1)OC(C(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C21H19N3O3S/c25-19(13-28-18-12-22-16-8-4-5-9-17(16)24-18)27-20(14-6-2-1-3-7-14)21(26)23-15-10-11-15/h1-9,12,15,20H,10-11,13H2,(H,23,26)
InChIKeyDQHFCTHKOOWHHO-UHFFFAOYSA-N
XLogP3.29
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 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

[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-quinoxalin-2-ylsulfanylacetate
CID 55322904
[(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
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-quinolin-2-ylpropanoate
CID 27765908
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-hydroxy-2-phenylacetate
CID 9414934
[1-(4-acetylanilino)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate
CID 46794232
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 6-methylpyridine-3-carboxylate
CID 18149699
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-benzamido-3-phenylpropanoate
CID 46825007
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate
CID 8601192
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-ethylsulfanylbenzoate
CID 8722117
[(1R)-2-(cyclopentylamino)-2-oxo-1-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7435756
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 45354130

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-quinoxalin-2-ylsulfanylacetate?
The IUPAC name of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-quinoxalin-2-ylsulfanylacetate (CID 46825293) is [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-quinoxalin-2-ylsulfanylacetate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-quinoxalin-2-ylsulfanylacetate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-quinoxalin-2-ylsulfanylacetate is O=C(CSc1cnc2ccccc2n1)OC(C(=O)NC1CC1)c1ccccc1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-quinoxalin-2-ylsulfanylacetate?
The InChIKey is DQHFCTHKOOWHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c25-19(13-28-18-12-22-16-8-4-5-9-17(16)24-18)27-20(14-6-2-1-3-7-14)21(26)23-15-10-11-15/h1-9,12,15,20H,10-11,13H2,(H,23,26).
What are the key properties of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-quinoxalin-2-ylsulfanylacetate?
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-quinoxalin-2-ylsulfanylacetate has a molecular weight of 393.47 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-quinoxalin-2-ylsulfanylacetate is sourced from PubChem (CID 46825293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).