N-[(2R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethanesulfonamide

C29H35NO6S — CID 11421131

IUPACN-[(2R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@H]1C[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C29H35NO6S/c1-2-37(31,32)30-28-18-26(34-20-24-14-8-4-9-15-24)29(35-21-25-16-10-5-11-17-25)27(36-28)22-33-19-23-12-6-3-7-13-23/h3-17,26-30H,2,18-22H2,1H3/t26-,27-,28-,29-/m1/s1
InChIKeySHGLAPTUXZZQHU-CXDXLJMYSA-N
MW525.67 g/mol
LogP4.43
Rot. Bonds13

About N-[(2R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethanesulfonamide

N-[(2R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethanesulfonamide (PubChem CID 11421131) has the molecular formula C29H35NO6S and a molecular weight of 525.67 g/mol. Its IUPAC name is N-[(2R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(2R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethanesulfonamide
PubChem CID11421131
Molecular FormulaC29H35NO6S
Molecular Weight525.67 g/mol
Exact Mass525.22
IUPAC NameN-[(2R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@H]1C[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C29H35NO6S/c1-2-37(31,32)30-28-18-26(34-20-24-14-8-4-9-15-24)29(35-21-25-16-10-5-11-17-25)27(36-28)22-33-19-23-12-6-3-7-13-23/h3-17,26-30H,2,18-22H2,1H3/t26-,27-,28-,29-/m1/s1
InChIKeySHGLAPTUXZZQHU-CXDXLJMYSA-N
XLogP4.43
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.67
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethanesulfonamide?
The IUPAC name of N-[(2R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethanesulfonamide (CID 11421131) is N-[(2R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethanesulfonamide.
What is the SMILES notation for N-[(2R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethanesulfonamide?
The canonical SMILES for N-[(2R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethanesulfonamide is CCS(=O)(=O)N[C@H]1C[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O1.
What is the InChIKey of N-[(2R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethanesulfonamide?
The InChIKey is SHGLAPTUXZZQHU-CXDXLJMYSA-N. The full InChI is InChI=1S/C29H35NO6S/c1-2-37(31,32)30-28-18-26(34-20-24-14-8-4-9-15-24)29(35-21-25-16-10-5-11-17-25)27(36-28)22-33-19-23-12-6-3-7-13-23/h3-17,26-30H,2,18-22H2,1H3/t26-,27-,28-,29-/m1/s1.
What are the key properties of N-[(2R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethanesulfonamide?
N-[(2R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethanesulfonamide has a molecular weight of 525.67 g/mol, XLogP of 4.43, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]ethanesulfonamide is sourced from PubChem (CID 11421131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).