2-[(2R,5S,6R)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide

C19H24N4O5S — CID 54643280

IUPAC2-[(2R,5S,6R)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide
SMILESO=C(C[C@H]1CC[C@H](NS(=O)(=O)c2ccccc2)[C@H](CO)O1)NCc1ccncn1
InChIInChI=1S/C19H24N4O5S/c24-12-18-17(23-29(26,27)16-4-2-1-3-5-16)7-6-15(28-18)10-19(25)21-11-14-8-9-20-13-22-14/h1-5,8-9,13,15,17-18,23-24H,6-7,10-12H2,(H,21,25)/t15-,17+,18+/m1/s1
InChIKeyBCGWQPUFPRNZMW-NJAFHUGGSA-N
MW420.49 g/mol
LogP0.37
Rot. Bonds8

About 2-[(2R,5S,6R)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide

2-[(2R,5S,6R)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide (PubChem CID 54643280) has the molecular formula C19H24N4O5S and a molecular weight of 420.49 g/mol. Its IUPAC name is 2-[(2R,5S,6R)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2R,5S,6R)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide
PubChem CID54643280
Molecular FormulaC19H24N4O5S
Molecular Weight420.49 g/mol
Exact Mass420.15
IUPAC Name2-[(2R,5S,6R)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide
SMILESO=C(C[C@H]1CC[C@H](NS(=O)(=O)c2ccccc2)[C@H](CO)O1)NCc1ccncn1
InChIInChI=1S/C19H24N4O5S/c24-12-18-17(23-29(26,27)16-4-2-1-3-5-16)7-6-15(28-18)10-19(25)21-11-14-8-9-20-13-22-14/h1-5,8-9,13,15,17-18,23-24H,6-7,10-12H2,(H,21,25)/t15-,17+,18+/m1/s1
InChIKeyBCGWQPUFPRNZMW-NJAFHUGGSA-N
XLogP0.37
TPSA130.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[(3-methoxyphenyl)carbamoylamino]oxan-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide
CID 54639627
2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[(4-methylphenyl)sulfonylamino]oxan-2-yl]-N-(2-pyridin-4-ylethyl)acetamide
CID 54643160
2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[(4-methylphenyl)sulfonylamino]oxan-2-yl]-N-(2-pyridin-4-ylethyl)acetamide
CID 54643163
N-ethyl-2-[(2S,5S,6R)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetamide
CID 54641622
2-[(2S,5R,6R)-6-(hydroxymethyl)-5-(phenylcarbamoylamino)oxan-2-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 54642650
2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[(4-methoxyphenyl)sulfonylamino]oxan-2-yl]-N-(2-pyridin-4-ylethyl)acetamide
CID 54643498
N-[(2-fluorophenyl)methyl]-2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[(4-methoxyphenyl)sulfonylamino]oxan-2-yl]acetamide
CID 54640319
N-[(3,4-dichlorophenyl)methyl]-2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[(4-methylphenyl)sulfonylamino]oxan-2-yl]acetamide
CID 54643304
N-[(3,4-dichlorophenyl)methyl]-2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[(4-methylphenyl)sulfonylamino]oxan-2-yl]acetamide
CID 54643305
2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[(3-methoxyphenyl)sulfonylamino]oxan-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 53382667
N-cyclohexyl-2-[(2R,5S,6R)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetamide
CID 54645394
N-cyclohexyl-2-[(2R,5S,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetamide
CID 54645399

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5S,6R)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide?
The IUPAC name of 2-[(2R,5S,6R)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide (CID 54643280) is 2-[(2R,5S,6R)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2R,5S,6R)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide?
The canonical SMILES for 2-[(2R,5S,6R)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide is O=C(C[C@H]1CC[C@H](NS(=O)(=O)c2ccccc2)[C@H](CO)O1)NCc1ccncn1.
What is the InChIKey of 2-[(2R,5S,6R)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide?
The InChIKey is BCGWQPUFPRNZMW-NJAFHUGGSA-N. The full InChI is InChI=1S/C19H24N4O5S/c24-12-18-17(23-29(26,27)16-4-2-1-3-5-16)7-6-15(28-18)10-19(25)21-11-14-8-9-20-13-22-14/h1-5,8-9,13,15,17-18,23-24H,6-7,10-12H2,(H,21,25)/t15-,17+,18+/m1/s1.
What are the key properties of 2-[(2R,5S,6R)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide?
2-[(2R,5S,6R)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide has a molecular weight of 420.49 g/mol, XLogP of 0.37, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,5S,6R)-5-(benzenesulfonamido)-6-(hydroxymethyl)oxan-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide is sourced from PubChem (CID 54643280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).