2-[[tert-butyl(diphenyl)silyl]oxymethyl]thiophene-3-sulfonamide

C21H25NO3S2Si — CID 69018519

IUPAC2-[[tert-butyl(diphenyl)silyl]oxymethyl]thiophene-3-sulfonamide
SMILESCC(C)(C)[Si](OCc1sccc1S(N)(=O)=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25NO3S2Si/c1-21(2,3)28(17-10-6-4-7-11-17,18-12-8-5-9-13-18)25-16-19-20(14-15-26-19)27(22,23)24/h4-15H,16H2,1-3H3,(H2,22,23,24)
InChIKeyMUWZWZSKRAPGMT-UHFFFAOYSA-N
MW431.66 g/mol
LogP3.47
Rot. Bonds6

About 2-[[tert-butyl(diphenyl)silyl]oxymethyl]thiophene-3-sulfonamide

2-[[tert-butyl(diphenyl)silyl]oxymethyl]thiophene-3-sulfonamide (PubChem CID 69018519) has the molecular formula C21H25NO3S2Si and a molecular weight of 431.66 g/mol. Its IUPAC name is 2-[[tert-butyl(diphenyl)silyl]oxymethyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-[[tert-butyl(diphenyl)silyl]oxymethyl]thiophene-3-sulfonamide
PubChem CID69018519
Molecular FormulaC21H25NO3S2Si
Molecular Weight431.66 g/mol
Exact Mass431.10
IUPAC Name2-[[tert-butyl(diphenyl)silyl]oxymethyl]thiophene-3-sulfonamide
SMILESCC(C)(C)[Si](OCc1sccc1S(N)(=O)=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25NO3S2Si/c1-21(2,3)28(17-10-6-4-7-11-17,18-12-8-5-9-13-18)25-16-19-20(14-15-26-19)27(22,23)24/h4-15H,16H2,1-3H3,(H2,22,23,24)
InChIKeyMUWZWZSKRAPGMT-UHFFFAOYSA-N
XLogP3.47
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.66
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[tert-butyl(diphenyl)silyl]oxymethyl]thiophen-3-amine
CID 160666543
tert-butyl-[(4-tert-butylphenyl)methoxy]-diphenylsilane
CID 135028969
2-bromo-6-[[tert-butyl(diphenyl)silyl]oxymethyl]aniline
CID 153278666
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
2-(2-bromothiophen-3-yl)ethoxy-tert-butyl-diphenylsilane
CID 156828780
tert-butyl-diphenyl-[(5-trimethylstannyl-1,3-thiazol-2-yl)methoxy]silane
CID 58641700
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexa-2,5-diene-1,4-dione
CID 16655856
tert-butyl-(2-chloroprop-2-enoxy)-diphenylsilane
CID 138969032
[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl] methanesulfonate
CID 140814430
4-[tert-butyl(diphenyl)silyl]oxybut-2-ynyl methanesulfonate
CID 141229051
N-[bis(methylsulfanyl)methylidene]-4-[[tert-butyl(diphenyl)silyl]oxymethyl]benzenesulfonamide;4-[[tert-butyl(diphenyl)silyl]oxymethyl]benzenesulfonamide;deuterio(fluoro)methane
CID 159821677
[(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylpentan-3-yl] chloromethanesulfonate
CID 102001891

Frequently Asked Questions

What is the IUPAC name of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]thiophene-3-sulfonamide?
The IUPAC name of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]thiophene-3-sulfonamide (CID 69018519) is 2-[[tert-butyl(diphenyl)silyl]oxymethyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2-[[tert-butyl(diphenyl)silyl]oxymethyl]thiophene-3-sulfonamide?
The canonical SMILES for 2-[[tert-butyl(diphenyl)silyl]oxymethyl]thiophene-3-sulfonamide is CC(C)(C)[Si](OCc1sccc1S(N)(=O)=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]thiophene-3-sulfonamide?
The InChIKey is MUWZWZSKRAPGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3S2Si/c1-21(2,3)28(17-10-6-4-7-11-17,18-12-8-5-9-13-18)25-16-19-20(14-15-26-19)27(22,23)24/h4-15H,16H2,1-3H3,(H2,22,23,24).
What are the key properties of 2-[[tert-butyl(diphenyl)silyl]oxymethyl]thiophene-3-sulfonamide?
2-[[tert-butyl(diphenyl)silyl]oxymethyl]thiophene-3-sulfonamide has a molecular weight of 431.66 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(diphenyl)silyl]oxymethyl]thiophene-3-sulfonamide is sourced from PubChem (CID 69018519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).