N-[(2R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-1-phenylmethanesulfonamide

C34H37NO6S — CID 11307806

IUPACN-[(2R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)N[C@H]1C[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C34H37NO6S/c36-42(37,26-30-19-11-4-12-20-30)35-33-21-31(39-23-28-15-7-2-8-16-28)34(40-24-29-17-9-3-10-18-29)32(41-33)25-38-22-27-13-5-1-6-14-27/h1-20,31-35H,21-26H2/t31-,32-,33-,34-/m1/s1
InChIKeyDRWKPDJDZIEROV-YFRBGRBWSA-N
MW587.74 g/mol
LogP5.61
Rot. Bonds14

About N-[(2R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-1-phenylmethanesulfonamide

N-[(2R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-1-phenylmethanesulfonamide (PubChem CID 11307806) has the molecular formula C34H37NO6S and a molecular weight of 587.74 g/mol. Its IUPAC name is N-[(2R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[(2R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-1-phenylmethanesulfonamide
PubChem CID11307806
Molecular FormulaC34H37NO6S
Molecular Weight587.74 g/mol
Exact Mass587.23
IUPAC NameN-[(2R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)N[C@H]1C[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C34H37NO6S/c36-42(37,26-30-19-11-4-12-20-30)35-33-21-31(39-23-28-15-7-2-8-16-28)34(40-24-29-17-9-3-10-18-29)32(41-33)25-38-22-27-13-5-1-6-14-27/h1-20,31-35H,21-26H2/t31-,32-,33-,34-/m1/s1
InChIKeyDRWKPDJDZIEROV-YFRBGRBWSA-N
XLogP5.61
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.74
LogP ≤ 55.61
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]-1-phenylmethanesulfonamide?
The IUPAC name of N-[(2R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-1-phenylmethanesulfonamide (CID 11307806) is N-[(2R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[(2R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[(2R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)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]-1-phenylmethanesulfonamide?
The InChIKey is DRWKPDJDZIEROV-YFRBGRBWSA-N. The full InChI is InChI=1S/C34H37NO6S/c36-42(37,26-30-19-11-4-12-20-30)35-33-21-31(39-23-28-15-7-2-8-16-28)34(40-24-29-17-9-3-10-18-29)32(41-33)25-38-22-27-13-5-1-6-14-27/h1-20,31-35H,21-26H2/t31-,32-,33-,34-/m1/s1.
What are the key properties of N-[(2R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-1-phenylmethanesulfonamide?
N-[(2R,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-1-phenylmethanesulfonamide has a molecular weight of 587.74 g/mol, XLogP of 5.61, 14 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]-1-phenylmethanesulfonamide is sourced from PubChem (CID 11307806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).