[6-methoxy-5-[(4-methylphenyl)sulfonylamino]-3,4-bis(phenylmethoxy)oxan-2-yl]methyl acetate

C30H35NO8S — CID 166449026

IUPAC[6-methoxy-5-[(4-methylphenyl)sulfonylamino]-3,4-bis(phenylmethoxy)oxan-2-yl]methyl acetate
SMILESCOC1OC(COC(C)=O)C(OCc2ccccc2)C(OCc2ccccc2)C1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C30H35NO8S/c1-21-14-16-25(17-15-21)40(33,34)31-27-29(38-19-24-12-8-5-9-13-24)28(37-18-23-10-6-4-7-11-23)26(20-36-22(2)32)39-30(27)35-3/h4-17,26-31H,18-20H2,1-3H3
InChIKeyZJWZEKPVCAYDBG-UHFFFAOYSA-N
MW569.68 g/mol
LogP3.75
Rot. Bonds12

About [6-methoxy-5-[(4-methylphenyl)sulfonylamino]-3,4-bis(phenylmethoxy)oxan-2-yl]methyl acetate

[6-methoxy-5-[(4-methylphenyl)sulfonylamino]-3,4-bis(phenylmethoxy)oxan-2-yl]methyl acetate (PubChem CID 166449026) has the molecular formula C30H35NO8S and a molecular weight of 569.68 g/mol. Its IUPAC name is [6-methoxy-5-[(4-methylphenyl)sulfonylamino]-3,4-bis(phenylmethoxy)oxan-2-yl]methyl acetate.

Molecular Properties

Compound Name[6-methoxy-5-[(4-methylphenyl)sulfonylamino]-3,4-bis(phenylmethoxy)oxan-2-yl]methyl acetate
PubChem CID166449026
Molecular FormulaC30H35NO8S
Molecular Weight569.68 g/mol
Exact Mass569.21
IUPAC Name[6-methoxy-5-[(4-methylphenyl)sulfonylamino]-3,4-bis(phenylmethoxy)oxan-2-yl]methyl acetate
SMILESCOC1OC(COC(C)=O)C(OCc2ccccc2)C(OCc2ccccc2)C1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C30H35NO8S/c1-21-14-16-25(17-15-21)40(33,34)31-27-29(38-19-24-12-8-5-9-13-24)28(37-18-23-10-6-4-7-11-23)26(20-36-22(2)32)39-30(27)35-3/h4-17,26-31H,18-20H2,1-3H3
InChIKeyZJWZEKPVCAYDBG-UHFFFAOYSA-N
XLogP3.75
TPSA109.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.68
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [6-methoxy-5-[(4-methylphenyl)sulfonylamino]-3,4-bis(phenylmethoxy)oxan-2-yl]methyl acetate 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 [6-methoxy-5-[(4-methylphenyl)sulfonylamino]-3,4-bis(phenylmethoxy)oxan-2-yl]methyl acetate?
The IUPAC name of [6-methoxy-5-[(4-methylphenyl)sulfonylamino]-3,4-bis(phenylmethoxy)oxan-2-yl]methyl acetate (CID 166449026) is [6-methoxy-5-[(4-methylphenyl)sulfonylamino]-3,4-bis(phenylmethoxy)oxan-2-yl]methyl acetate.
What is the SMILES notation for [6-methoxy-5-[(4-methylphenyl)sulfonylamino]-3,4-bis(phenylmethoxy)oxan-2-yl]methyl acetate?
The canonical SMILES for [6-methoxy-5-[(4-methylphenyl)sulfonylamino]-3,4-bis(phenylmethoxy)oxan-2-yl]methyl acetate is COC1OC(COC(C)=O)C(OCc2ccccc2)C(OCc2ccccc2)C1NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of [6-methoxy-5-[(4-methylphenyl)sulfonylamino]-3,4-bis(phenylmethoxy)oxan-2-yl]methyl acetate?
The InChIKey is ZJWZEKPVCAYDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35NO8S/c1-21-14-16-25(17-15-21)40(33,34)31-27-29(38-19-24-12-8-5-9-13-24)28(37-18-23-10-6-4-7-11-23)26(20-36-22(2)32)39-30(27)35-3/h4-17,26-31H,18-20H2,1-3H3.
What are the key properties of [6-methoxy-5-[(4-methylphenyl)sulfonylamino]-3,4-bis(phenylmethoxy)oxan-2-yl]methyl acetate?
[6-methoxy-5-[(4-methylphenyl)sulfonylamino]-3,4-bis(phenylmethoxy)oxan-2-yl]methyl acetate has a molecular weight of 569.68 g/mol, XLogP of 3.75, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methoxy-5-[(4-methylphenyl)sulfonylamino]-3,4-bis(phenylmethoxy)oxan-2-yl]methyl acetate is sourced from PubChem (CID 166449026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).