[1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate

C23H25N3O3S — CID 46794172

IUPAC[1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate
SMILESCCC(C)c1ccccc1NC(=O)C(C)OC(=O)CSc1cnc2ccccc2n1
InChIInChI=1S/C23H25N3O3S/c1-4-15(2)17-9-5-6-10-18(17)26-23(28)16(3)29-22(27)14-30-21-13-24-19-11-7-8-12-20(19)25-21/h5-13,15-16H,4,14H2,1-3H3,(H,26,28)
InChIKeyUNSAXGCRVDBFCP-UHFFFAOYSA-N
MW423.54 g/mol
LogP4.81
Rot. Bonds8

About [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate

[1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate (PubChem CID 46794172) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate.

Molecular Properties

Compound Name[1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate
PubChem CID46794172
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Name[1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate
SMILESCCC(C)c1ccccc1NC(=O)C(C)OC(=O)CSc1cnc2ccccc2n1
InChIInChI=1S/C23H25N3O3S/c1-4-15(2)17-9-5-6-10-18(17)26-23(28)16(3)29-22(27)14-30-21-13-24-19-11-7-8-12-20(19)25-21/h5-13,15-16H,4,14H2,1-3H3,(H,26,28)
InChIKeyUNSAXGCRVDBFCP-UHFFFAOYSA-N
XLogP4.81
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate with MolForge

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Related Compounds

[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-quinoxalin-2-ylsulfanylacetate
CID 33485557
[1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate
CID 42975849
[1-(4-acetylanilino)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate
CID 46794232
[(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8550179
[1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate
CID 46794162
[(2R)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 2-(4-methoxyphenoxy)acetate
CID 8905168
[(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
N-[2-[(2S)-butan-2-yl]phenyl]-2-quinolin-2-ylsulfanylacetamide
CID 7755322
[1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 55318942
[(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 2-methylsulfanylbenzoate
CID 8526489
[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate
CID 46794119

Frequently Asked Questions

What is the IUPAC name of [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate?
The IUPAC name of [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate (CID 46794172) is [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate.
What is the SMILES notation for [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate?
The canonical SMILES for [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate is CCC(C)c1ccccc1NC(=O)C(C)OC(=O)CSc1cnc2ccccc2n1.
What is the InChIKey of [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate?
The InChIKey is UNSAXGCRVDBFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-4-15(2)17-9-5-6-10-18(17)26-23(28)16(3)29-22(27)14-30-21-13-24-19-11-7-8-12-20(19)25-21/h5-13,15-16H,4,14H2,1-3H3,(H,26,28).
What are the key properties of [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate?
[1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate has a molecular weight of 423.54 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate is sourced from PubChem (CID 46794172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).