N-[[2-[tert-butyl(diphenyl)silyl]oxy-5-(methanesulfonamido)phenyl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide

C29H38N2O5SSi — CID 87742539

IUPACN-[[2-[tert-butyl(diphenyl)silyl]oxy-5-(methanesulfonamido)phenyl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide
SMILESCC(C)(C)ON(C=O)Cc1cc(NS(C)(=O)=O)ccc1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C29H38N2O5SSi/c1-28(2,3)36-31(22-32)21-23-20-24(30-37(7,33)34)18-19-27(23)35-38(29(4,5)6,25-14-10-8-11-15-25)26-16-12-9-13-17-26/h8-20,22,30H,21H2,1-7H3
InChIKeyQJRIPTYLFKFORE-UHFFFAOYSA-N
MW554.79 g/mol
LogP4.69
Rot. Bonds10

About N-[[2-[tert-butyl(diphenyl)silyl]oxy-5-(methanesulfonamido)phenyl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide

N-[[2-[tert-butyl(diphenyl)silyl]oxy-5-(methanesulfonamido)phenyl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide (PubChem CID 87742539) has the molecular formula C29H38N2O5SSi and a molecular weight of 554.79 g/mol. Its IUPAC name is N-[[2-[tert-butyl(diphenyl)silyl]oxy-5-(methanesulfonamido)phenyl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide.

Molecular Properties

Compound NameN-[[2-[tert-butyl(diphenyl)silyl]oxy-5-(methanesulfonamido)phenyl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide
PubChem CID87742539
Molecular FormulaC29H38N2O5SSi
Molecular Weight554.79 g/mol
Exact Mass554.23
IUPAC NameN-[[2-[tert-butyl(diphenyl)silyl]oxy-5-(methanesulfonamido)phenyl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide
SMILESCC(C)(C)ON(C=O)Cc1cc(NS(C)(=O)=O)ccc1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C29H38N2O5SSi/c1-28(2,3)36-31(22-32)21-23-20-24(30-37(7,33)34)18-19-27(23)35-38(29(4,5)6,25-14-10-8-11-15-25)26-16-12-9-13-17-26/h8-20,22,30H,21H2,1-7H3
InChIKeyQJRIPTYLFKFORE-UHFFFAOYSA-N
XLogP4.69
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.79
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyphenyl]methanesulfonamide
CID 101199405
2-[tert-butyl(dimethyl)silyl]oxy-5-(methanesulfonamido)benzoic acid
CID 167723901
2,4-bis[[tert-butyl(diphenyl)silyl]oxy]benzaldehyde
CID 44598255
5-[[2-[tert-butyl(diphenyl)silyl]oxy-5-methoxyphenyl]methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 11283769
tert-butyl-[2-(cyclopropylidenemethyl)phenoxy]-diphenylsilane
CID 101450805
N-[[1-(2-chloropyrimidin-4-yl)indol-3-yl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide
CID 175148151
3-[tert-butyl(diphenyl)silyl]oxy-N-(4-methoxyphenyl)-4-methylaniline
CID 44515131
2-(bromomethyl)-8-[tert-butyl(diphenyl)silyl]oxy-N,N-dimethylquinoline-5-sulfonamide
CID 58512850
(3-bromonaphthalen-2-yl)oxy-tert-butyl-diphenylsilane
CID 101484237
N-[4-(aminomethyl)-3-methoxyphenyl]methanesulfonamide
CID 21097532
N-[3-(methanesulfonamido)phenyl]formamide
CID 54434866
N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methanesulfonamide
CID 58195079

Frequently Asked Questions

What is the IUPAC name of N-[[2-[tert-butyl(diphenyl)silyl]oxy-5-(methanesulfonamido)phenyl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
The IUPAC name of N-[[2-[tert-butyl(diphenyl)silyl]oxy-5-(methanesulfonamido)phenyl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide (CID 87742539) is N-[[2-[tert-butyl(diphenyl)silyl]oxy-5-(methanesulfonamido)phenyl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide.
What is the SMILES notation for N-[[2-[tert-butyl(diphenyl)silyl]oxy-5-(methanesulfonamido)phenyl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
The canonical SMILES for N-[[2-[tert-butyl(diphenyl)silyl]oxy-5-(methanesulfonamido)phenyl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide is CC(C)(C)ON(C=O)Cc1cc(NS(C)(=O)=O)ccc1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of N-[[2-[tert-butyl(diphenyl)silyl]oxy-5-(methanesulfonamido)phenyl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
The InChIKey is QJRIPTYLFKFORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N2O5SSi/c1-28(2,3)36-31(22-32)21-23-20-24(30-37(7,33)34)18-19-27(23)35-38(29(4,5)6,25-14-10-8-11-15-25)26-16-12-9-13-17-26/h8-20,22,30H,21H2,1-7H3.
What are the key properties of N-[[2-[tert-butyl(diphenyl)silyl]oxy-5-(methanesulfonamido)phenyl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
N-[[2-[tert-butyl(diphenyl)silyl]oxy-5-(methanesulfonamido)phenyl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide has a molecular weight of 554.79 g/mol, XLogP of 4.69, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[tert-butyl(diphenyl)silyl]oxy-5-(methanesulfonamido)phenyl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide is sourced from PubChem (CID 87742539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).