N-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pent-4-enyl]-4-methylbenzenesulfonamide

C20H35NO3SSi — CID 10715848

IUPACN-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pent-4-enyl]-4-methylbenzenesulfonamide
SMILESC=CCC(CCO[Si](C)(C)C(C)(C)C)CNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H35NO3SSi/c1-8-9-18(14-15-24-26(6,7)20(3,4)5)16-21-25(22,23)19-12-10-17(2)11-13-19/h8,10-13,18,21H,1,9,14-16H2,2-7H3
InChIKeyIJISWFDTEHWICU-UHFFFAOYSA-N
MW397.66 g/mol
LogP4.88
Rot. Bonds10

About N-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pent-4-enyl]-4-methylbenzenesulfonamide

N-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pent-4-enyl]-4-methylbenzenesulfonamide (PubChem CID 10715848) has the molecular formula C20H35NO3SSi and a molecular weight of 397.66 g/mol. Its IUPAC name is N-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pent-4-enyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pent-4-enyl]-4-methylbenzenesulfonamide
PubChem CID10715848
Molecular FormulaC20H35NO3SSi
Molecular Weight397.66 g/mol
Exact Mass397.21
IUPAC NameN-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pent-4-enyl]-4-methylbenzenesulfonamide
SMILESC=CCC(CCO[Si](C)(C)C(C)(C)C)CNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H35NO3SSi/c1-8-9-18(14-15-24-26(6,7)20(3,4)5)16-21-25(22,23)19-12-10-17(2)11-13-19/h8,10-13,18,21H,1,9,14-16H2,2-7H3
InChIKeyIJISWFDTEHWICU-UHFFFAOYSA-N
XLogP4.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.66
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-4-methylbenzenesulfonamide
CID 163216298
N-[2-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-pyridinyl]ethyl]-4-methylbenzenesulfonamide
CID 10670500
4-methyl-N-(1-trimethoxysilylbut-3-enyl)benzenesulfonamide
CID 68854810
N-[(2S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-(hydroxymethyl)hept-6-en-2-yl]-4-methylbenzenesulfonamide
CID 12964130
N-(2-hydroxy-3-prop-2-enoxypropyl)-4-methylbenzenesulfonamide
CID 71419925
4-(4-methylphenyl)-N-(2-methylpropyl)benzenesulfonamide
CID 70038697
[2-[tert-butyl(dimethyl)silyl]oxy-1,1-dideuterioethyl] 4-methylbenzenesulfonate
CID 169435361
[(2R)-5-[tert-butyl(dimethyl)silyl]oxy-2-propylpentyl] 4-methylbenzenesulfonate
CID 140752000
prop-2-enyl (2S)-3-[(4-methylphenyl)sulfonylamino]-2-(prop-2-enoxycarbonylamino)propanoate
CID 102087105
1-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl benzoate
CID 168819463
N-[(2S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-chloro-4-methylpentan-2-yl]-4-methylbenzenesulfonamide
CID 134927468
N-[2,2-bis(prop-2-enyl)pent-4-enyl]-4-methylbenzenesulfonamide
CID 156694376

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pent-4-enyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pent-4-enyl]-4-methylbenzenesulfonamide (CID 10715848) is N-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pent-4-enyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pent-4-enyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pent-4-enyl]-4-methylbenzenesulfonamide is C=CCC(CCO[Si](C)(C)C(C)(C)C)CNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pent-4-enyl]-4-methylbenzenesulfonamide?
The InChIKey is IJISWFDTEHWICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO3SSi/c1-8-9-18(14-15-24-26(6,7)20(3,4)5)16-21-25(22,23)19-12-10-17(2)11-13-19/h8,10-13,18,21H,1,9,14-16H2,2-7H3.
What are the key properties of N-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pent-4-enyl]-4-methylbenzenesulfonamide?
N-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pent-4-enyl]-4-methylbenzenesulfonamide has a molecular weight of 397.66 g/mol, XLogP of 4.88, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pent-4-enyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 10715848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).