2-[(2S,5S,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide

C21H32FN3O6S — CID 53382654

IUPAC2-[(2S,5S,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESO=C(C[C@@H]1CC[C@H](NS(=O)(=O)c2ccccc2F)[C@@H](CO)O1)NCCCN1CCOCC1
InChIInChI=1S/C21H32FN3O6S/c22-17-4-1-2-5-20(17)32(28,29)24-18-7-6-16(31-19(18)15-26)14-21(27)23-8-3-9-25-10-12-30-13-11-25/h1-2,4-5,16,18-19,24,26H,3,6-15H2,(H,23,27)/t16-,18-,19+/m0/s1
InChIKeyUJHVJOLUCVEDGK-YTQUADARSA-N
MW473.57 g/mol
LogP0.24
Rot. Bonds10

About 2-[(2S,5S,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide

2-[(2S,5S,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 53382654) has the molecular formula C21H32FN3O6S and a molecular weight of 473.57 g/mol. Its IUPAC name is 2-[(2S,5S,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[(2S,5S,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID53382654
Molecular FormulaC21H32FN3O6S
Molecular Weight473.57 g/mol
Exact Mass473.20
IUPAC Name2-[(2S,5S,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESO=C(C[C@@H]1CC[C@H](NS(=O)(=O)c2ccccc2F)[C@@H](CO)O1)NCCCN1CCOCC1
InChIInChI=1S/C21H32FN3O6S/c22-17-4-1-2-5-20(17)32(28,29)24-18-7-6-16(31-19(18)15-26)14-21(27)23-8-3-9-25-10-12-30-13-11-25/h1-2,4-5,16,18-19,24,26H,3,6-15H2,(H,23,27)/t16-,18-,19+/m0/s1
InChIKeyUJHVJOLUCVEDGK-YTQUADARSA-N
XLogP0.24
TPSA117.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2R,3S,6S)-6-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-4-oxanecarboxamide
CID 54639172
2-[(2S,3S,6R)-3-[(2-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[3-(4-morpholinyl)propyl]acetamide
CID 53382666
2-cyclopropyl-N-[(2S,3R,6S)-6-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]acetamide
CID 53382741
N-[(2R,3R,6R)-6-[2-[(2-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(4-morpholinyl)acetamide
CID 54639370
N-cyclobutyl-2-[(2R,5R,6R)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetamide
CID 54640227
3-fluoro-N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3-oxanyl]benzenesulfonamide
CID 54640251
2-[(2S,5R,6S)-5-(benzenesulfonamido)-6-(hydroxymethyl)-2-oxanyl]-N-[2-(1-piperidinyl)ethyl]acetamide
CID 54640286
N-[2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[(4-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]cyclohexanecarboxamide
CID 54640994
N-ethyl-2-[(2S,5R,6R)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetamide
CID 54641626
N-[(2S,3R,6S)-6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]-4-fluorobenzenesulfonamide
CID 54642231
N-[(2R,3R,6R)-6-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]-3-piperidin-1-ylpropanamide
CID 54643551
N-[(2R,3S,6S)-6-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]-3-piperidin-1-ylpropanamide
CID 54643552

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,5S,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-[(2S,5S,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide (CID 53382654) is 2-[(2S,5S,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-[(2S,5S,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-[(2S,5S,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide is O=C(C[C@@H]1CC[C@H](NS(=O)(=O)c2ccccc2F)[C@@H](CO)O1)NCCCN1CCOCC1.
What is the InChIKey of 2-[(2S,5S,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is UJHVJOLUCVEDGK-YTQUADARSA-N. The full InChI is InChI=1S/C21H32FN3O6S/c22-17-4-1-2-5-20(17)32(28,29)24-18-7-6-16(31-19(18)15-26)14-21(27)23-8-3-9-25-10-12-30-13-11-25/h1-2,4-5,16,18-19,24,26H,3,6-15H2,(H,23,27)/t16-,18-,19+/m0/s1.
What are the key properties of 2-[(2S,5S,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
2-[(2S,5S,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 473.57 g/mol, XLogP of 0.24, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,5S,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 53382654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).