N-benzyl-4-methyl-N-[(2S,3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide

C48H49NO7S — CID 102426174

IUPACN-benzyl-4-methyl-N-[(2S,3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H]2[C@@H](OCc3ccccc3)O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1
InChIInChI=1S/C48H49NO7S/c1-37-27-29-43(30-28-37)57(50,51)49(31-38-17-7-2-8-18-38)45-47(54-34-41-23-13-5-14-24-41)46(53-33-40-21-11-4-12-22-40)44(36-52-32-39-19-9-3-10-20-39)56-48(45)55-35-42-25-15-6-16-26-42/h2-30,44-48H,31-36H2,1H3/t44-,45-,46-,47-,48+/m1/s1
InChIKeyUKSKFEVJXJMYLR-HDOXPOPMSA-N
MW783.99 g/mol
LogP8.88
Rot. Bonds18

About N-benzyl-4-methyl-N-[(2S,3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide

N-benzyl-4-methyl-N-[(2S,3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide (PubChem CID 102426174) has the molecular formula C48H49NO7S and a molecular weight of 783.99 g/mol. Its IUPAC name is N-benzyl-4-methyl-N-[(2S,3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-methyl-N-[(2S,3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide
PubChem CID102426174
Molecular FormulaC48H49NO7S
Molecular Weight783.99 g/mol
Exact Mass783.32
IUPAC NameN-benzyl-4-methyl-N-[(2S,3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H]2[C@@H](OCc3ccccc3)O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1
InChIInChI=1S/C48H49NO7S/c1-37-27-29-43(30-28-37)57(50,51)49(31-38-17-7-2-8-18-38)45-47(54-34-41-23-13-5-14-24-41)46(53-33-40-21-11-4-12-22-40)44(36-52-32-39-19-9-3-10-20-39)56-48(45)55-35-42-25-15-6-16-26-42/h2-30,44-48H,31-36H2,1H3/t44-,45-,46-,47-,48+/m1/s1
InChIKeyUKSKFEVJXJMYLR-HDOXPOPMSA-N
XLogP8.88
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.99
LogP ≤ 58.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-benzyl-4-methyl-N-[(2S,3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-N-[(2S,3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide?
The IUPAC name of N-benzyl-4-methyl-N-[(2S,3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide (CID 102426174) is N-benzyl-4-methyl-N-[(2S,3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide.
What is the SMILES notation for N-benzyl-4-methyl-N-[(2S,3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide?
The canonical SMILES for N-benzyl-4-methyl-N-[(2S,3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H]2[C@@H](OCc3ccccc3)O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-4-methyl-N-[(2S,3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide?
The InChIKey is UKSKFEVJXJMYLR-HDOXPOPMSA-N. The full InChI is InChI=1S/C48H49NO7S/c1-37-27-29-43(30-28-37)57(50,51)49(31-38-17-7-2-8-18-38)45-47(54-34-41-23-13-5-14-24-41)46(53-33-40-21-11-4-12-22-40)44(36-52-32-39-19-9-3-10-20-39)56-48(45)55-35-42-25-15-6-16-26-42/h2-30,44-48H,31-36H2,1H3/t44-,45-,46-,47-,48+/m1/s1.
What are the key properties of N-benzyl-4-methyl-N-[(2S,3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide?
N-benzyl-4-methyl-N-[(2S,3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide has a molecular weight of 783.99 g/mol, XLogP of 8.88, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-N-[(2S,3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]benzenesulfonamide is sourced from PubChem (CID 102426174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).