[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2S)-2-[(4-acetylphenyl)sulfonylamino]propanoate

C19H26N2O6S — CID 26007765

IUPAC[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2S)-2-[(4-acetylphenyl)sulfonylamino]propanoate
SMILESCC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H26N2O6S/c1-13(19(24)27-15(3)18(23)21-11-5-4-6-12-21)20-28(25,26)17-9-7-16(8-10-17)14(2)22/h7-10,13,15,20H,4-6,11-12H2,1-3H3/t13-,15-/m0/s1
InChIKeyDTMRHJNVEVVXOC-ZFWWWQNUSA-N
MW410.49 g/mol
LogP1.50
Rot. Bonds7

About [(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2S)-2-[(4-acetylphenyl)sulfonylamino]propanoate

[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2S)-2-[(4-acetylphenyl)sulfonylamino]propanoate (PubChem CID 26007765) has the molecular formula C19H26N2O6S and a molecular weight of 410.49 g/mol. Its IUPAC name is [(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2S)-2-[(4-acetylphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2S)-2-[(4-acetylphenyl)sulfonylamino]propanoate
PubChem CID26007765
Molecular FormulaC19H26N2O6S
Molecular Weight410.49 g/mol
Exact Mass410.15
IUPAC Name[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2S)-2-[(4-acetylphenyl)sulfonylamino]propanoate
SMILESCC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H26N2O6S/c1-13(19(24)27-15(3)18(23)21-11-5-4-6-12-21)20-28(25,26)17-9-7-16(8-10-17)14(2)22/h7-10,13,15,20H,4-6,11-12H2,1-3H3/t13-,15-/m0/s1
InChIKeyDTMRHJNVEVVXOC-ZFWWWQNUSA-N
XLogP1.50
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2S)-2-[(4-acetylphenyl)sulfonylamino]propanoate with MolForge

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Related Compounds

[1-(azepan-1-yl)-1-oxopropan-2-yl] (2S)-2-(benzenesulfonamido)propanoate
CID 55935697
[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl] 4-[[(2S)-butan-2-yl]sulfamoyl]benzoate
CID 8954915
[(2R)-1-anilino-1-oxopropan-2-yl] (2S)-2-[(4-acetylphenyl)sulfonylamino]propanoate
CID 8939352
[(1R)-1-cyanoethyl] (2S)-2-[(4-acetylphenyl)sulfonylamino]propanoate
CID 8939367
4-fluoro-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide
CID 93417335
N-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
CID 51089554
[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate
CID 30798104
3-acetyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 51097875
4-acetyl-N-(3-oxobutan-2-yl)benzenesulfonamide
CID 64994023
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate
CID 8936470
(2S)-2-[(4-acetylphenyl)sulfonylamino]propanoic acid
CID 2080939
[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] 4-piperidin-1-ylsulfonylbenzoate
CID 8705295

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2S)-2-[(4-acetylphenyl)sulfonylamino]propanoate?
The IUPAC name of [(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2S)-2-[(4-acetylphenyl)sulfonylamino]propanoate (CID 26007765) is [(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2S)-2-[(4-acetylphenyl)sulfonylamino]propanoate.
What is the SMILES notation for [(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2S)-2-[(4-acetylphenyl)sulfonylamino]propanoate?
The canonical SMILES for [(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2S)-2-[(4-acetylphenyl)sulfonylamino]propanoate is CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N2CCCCC2)cc1.
What is the InChIKey of [(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2S)-2-[(4-acetylphenyl)sulfonylamino]propanoate?
The InChIKey is DTMRHJNVEVVXOC-ZFWWWQNUSA-N. The full InChI is InChI=1S/C19H26N2O6S/c1-13(19(24)27-15(3)18(23)21-11-5-4-6-12-21)20-28(25,26)17-9-7-16(8-10-17)14(2)22/h7-10,13,15,20H,4-6,11-12H2,1-3H3/t13-,15-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2S)-2-[(4-acetylphenyl)sulfonylamino]propanoate?
[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2S)-2-[(4-acetylphenyl)sulfonylamino]propanoate has a molecular weight of 410.49 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2S)-2-[(4-acetylphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 26007765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).