N-[[4-[(3,5-ditert-butyl-4-hydroxyphenoxy)methyl-dimethylsilyl]phenyl]methyl]-N-methylmethanesulfonamide

C26H41NO4SSi — CID 143041020

IUPACN-[[4-[(3,5-ditert-butyl-4-hydroxyphenoxy)methyl-dimethylsilyl]phenyl]methyl]-N-methylmethanesulfonamide
SMILESCN(Cc1ccc([Si](C)(C)COc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1)S(C)(=O)=O
InChIInChI=1S/C26H41NO4SSi/c1-25(2,3)22-15-20(16-23(24(22)28)26(4,5)6)31-18-33(9,10)21-13-11-19(12-14-21)17-27(7)32(8,29)30/h11-16,28H,17-18H2,1-10H3
InChIKeyZLCKLDGGDGNCLV-UHFFFAOYSA-N
MW491.77 g/mol
LogP4.91
Rot. Bonds7

About N-[[4-[(3,5-ditert-butyl-4-hydroxyphenoxy)methyl-dimethylsilyl]phenyl]methyl]-N-methylmethanesulfonamide

N-[[4-[(3,5-ditert-butyl-4-hydroxyphenoxy)methyl-dimethylsilyl]phenyl]methyl]-N-methylmethanesulfonamide (PubChem CID 143041020) has the molecular formula C26H41NO4SSi and a molecular weight of 491.77 g/mol. Its IUPAC name is N-[[4-[(3,5-ditert-butyl-4-hydroxyphenoxy)methyl-dimethylsilyl]phenyl]methyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[[4-[(3,5-ditert-butyl-4-hydroxyphenoxy)methyl-dimethylsilyl]phenyl]methyl]-N-methylmethanesulfonamide
PubChem CID143041020
Molecular FormulaC26H41NO4SSi
Molecular Weight491.77 g/mol
Exact Mass491.25
IUPAC NameN-[[4-[(3,5-ditert-butyl-4-hydroxyphenoxy)methyl-dimethylsilyl]phenyl]methyl]-N-methylmethanesulfonamide
SMILESCN(Cc1ccc([Si](C)(C)COc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1)S(C)(=O)=O
InChIInChI=1S/C26H41NO4SSi/c1-25(2,3)22-15-20(16-23(24(22)28)26(4,5)6)31-18-33(9,10)21-13-11-19(12-14-21)17-27(7)32(8,29)30/h11-16,28H,17-18H2,1-10H3
InChIKeyZLCKLDGGDGNCLV-UHFFFAOYSA-N
XLogP4.91
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.77
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3,5-ditert-butyl-4-hydroxyphenoxy)methyl-dimethylsilyl]phenyl]methyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[[4-[(3,5-ditert-butyl-4-hydroxyphenoxy)methyl-dimethylsilyl]phenyl]methyl]-N-methylmethanesulfonamide (CID 143041020) is N-[[4-[(3,5-ditert-butyl-4-hydroxyphenoxy)methyl-dimethylsilyl]phenyl]methyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[[4-[(3,5-ditert-butyl-4-hydroxyphenoxy)methyl-dimethylsilyl]phenyl]methyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[[4-[(3,5-ditert-butyl-4-hydroxyphenoxy)methyl-dimethylsilyl]phenyl]methyl]-N-methylmethanesulfonamide is CN(Cc1ccc([Si](C)(C)COc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1)S(C)(=O)=O.
What is the InChIKey of N-[[4-[(3,5-ditert-butyl-4-hydroxyphenoxy)methyl-dimethylsilyl]phenyl]methyl]-N-methylmethanesulfonamide?
The InChIKey is ZLCKLDGGDGNCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41NO4SSi/c1-25(2,3)22-15-20(16-23(24(22)28)26(4,5)6)31-18-33(9,10)21-13-11-19(12-14-21)17-27(7)32(8,29)30/h11-16,28H,17-18H2,1-10H3.
What are the key properties of N-[[4-[(3,5-ditert-butyl-4-hydroxyphenoxy)methyl-dimethylsilyl]phenyl]methyl]-N-methylmethanesulfonamide?
N-[[4-[(3,5-ditert-butyl-4-hydroxyphenoxy)methyl-dimethylsilyl]phenyl]methyl]-N-methylmethanesulfonamide has a molecular weight of 491.77 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3,5-ditert-butyl-4-hydroxyphenoxy)methyl-dimethylsilyl]phenyl]methyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 143041020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).