[1-oxo-1-(2-phenylethylamino)propan-2-yl] 3-(methanesulfonamido)benzoate

C19H22N2O5S — CID 18091178

IUPAC[1-oxo-1-(2-phenylethylamino)propan-2-yl] 3-(methanesulfonamido)benzoate
SMILESCC(OC(=O)c1cccc(NS(C)(=O)=O)c1)C(=O)NCCc1ccccc1
InChIInChI=1S/C19H22N2O5S/c1-14(18(22)20-12-11-15-7-4-3-5-8-15)26-19(23)16-9-6-10-17(13-16)21-27(2,24)25/h3-10,13-14,21H,11-12H2,1-2H3,(H,20,22)
InChIKeyQWIYLJOBKUQNHB-UHFFFAOYSA-N
MW390.46 g/mol
LogP1.96
Rot. Bonds8

About [1-oxo-1-(2-phenylethylamino)propan-2-yl] 3-(methanesulfonamido)benzoate

[1-oxo-1-(2-phenylethylamino)propan-2-yl] 3-(methanesulfonamido)benzoate (PubChem CID 18091178) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is [1-oxo-1-(2-phenylethylamino)propan-2-yl] 3-(methanesulfonamido)benzoate.

Molecular Properties

Compound Name[1-oxo-1-(2-phenylethylamino)propan-2-yl] 3-(methanesulfonamido)benzoate
PubChem CID18091178
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name[1-oxo-1-(2-phenylethylamino)propan-2-yl] 3-(methanesulfonamido)benzoate
SMILESCC(OC(=O)c1cccc(NS(C)(=O)=O)c1)C(=O)NCCc1ccccc1
InChIInChI=1S/C19H22N2O5S/c1-14(18(22)20-12-11-15-7-4-3-5-8-15)26-19(23)16-9-6-10-17(13-16)21-27(2,24)25/h3-10,13-14,21H,11-12H2,1-2H3,(H,20,22)
InChIKeyQWIYLJOBKUQNHB-UHFFFAOYSA-N
XLogP1.96
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-oxo-1-(2-phenylethylamino)propan-2-yl] 3-(methanesulfonamido)benzoate with MolForge

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Related Compounds

[1-(carbamoylamino)-1-oxopropan-2-yl] 3-(methanesulfonamido)benzoate
CID 16543131
[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 3-[methoxy(methyl)sulfamoyl]benzoate
CID 9383357
[(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 3-[methoxy(methyl)sulfamoyl]benzoate
CID 9383358
[1-oxo-1-(2-phenylethylamino)propan-2-yl] 3-(2-methylpropoxy)benzoate
CID 55423738
3-(methanesulfonamido)-N-(4-phenylbutan-2-yl)benzamide
CID 18107551
3-(methanesulfonamido)-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 41453393
[1-(2-acetylanilino)-1-oxopropan-2-yl] 3-(methanesulfonamido)benzoate
CID 16567085
[(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-methoxy-3-(methylsulfamoyl)benzoate
CID 8988403
[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 3-bromo-4-methoxybenzoate
CID 9309963
[1-oxo-1-(2-phenylethylamino)propan-2-yl] 2-methyl-5-methylsulfonylbenzoate
CID 18091987
[(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 2-methyl-5-methylsulfonylbenzoate
CID 8577872
[1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 3-(methanesulfonamido)benzoate
CID 16567077

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(2-phenylethylamino)propan-2-yl] 3-(methanesulfonamido)benzoate?
The IUPAC name of [1-oxo-1-(2-phenylethylamino)propan-2-yl] 3-(methanesulfonamido)benzoate (CID 18091178) is [1-oxo-1-(2-phenylethylamino)propan-2-yl] 3-(methanesulfonamido)benzoate.
What is the SMILES notation for [1-oxo-1-(2-phenylethylamino)propan-2-yl] 3-(methanesulfonamido)benzoate?
The canonical SMILES for [1-oxo-1-(2-phenylethylamino)propan-2-yl] 3-(methanesulfonamido)benzoate is CC(OC(=O)c1cccc(NS(C)(=O)=O)c1)C(=O)NCCc1ccccc1.
What is the InChIKey of [1-oxo-1-(2-phenylethylamino)propan-2-yl] 3-(methanesulfonamido)benzoate?
The InChIKey is QWIYLJOBKUQNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-14(18(22)20-12-11-15-7-4-3-5-8-15)26-19(23)16-9-6-10-17(13-16)21-27(2,24)25/h3-10,13-14,21H,11-12H2,1-2H3,(H,20,22).
What are the key properties of [1-oxo-1-(2-phenylethylamino)propan-2-yl] 3-(methanesulfonamido)benzoate?
[1-oxo-1-(2-phenylethylamino)propan-2-yl] 3-(methanesulfonamido)benzoate has a molecular weight of 390.46 g/mol, XLogP of 1.96, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(2-phenylethylamino)propan-2-yl] 3-(methanesulfonamido)benzoate is sourced from PubChem (CID 18091178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).