N-[2-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-pyridinyl]ethyl]-4-methylbenzenesulfonamide

C22H34N2O3SSi — CID 10670500

IUPACN-[2-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-pyridinyl]ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2ccncc2CCO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C22H34N2O3SSi/c1-18-7-9-21(10-8-18)28(25,26)24-15-12-19-11-14-23-17-20(19)13-16-27-29(5,6)22(2,3)4/h7-11,14,17,24H,12-13,15-16H2,1-6H3
InChIKeyNFNWUWQAHMOAPG-UHFFFAOYSA-N
MW434.68 g/mol
LogP4.48
Rot. Bonds9

About N-[2-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-pyridinyl]ethyl]-4-methylbenzenesulfonamide

N-[2-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-pyridinyl]ethyl]-4-methylbenzenesulfonamide (PubChem CID 10670500) has the molecular formula C22H34N2O3SSi and a molecular weight of 434.68 g/mol. Its IUPAC name is N-[2-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-pyridinyl]ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-pyridinyl]ethyl]-4-methylbenzenesulfonamide
PubChem CID10670500
Molecular FormulaC22H34N2O3SSi
Molecular Weight434.68 g/mol
Exact Mass434.21
IUPAC NameN-[2-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-pyridinyl]ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2ccncc2CCO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C22H34N2O3SSi/c1-18-7-9-21(10-8-18)28(25,26)24-15-12-19-11-14-23-17-20(19)13-16-27-29(5,6)22(2,3)4/h7-11,14,17,24H,12-13,15-16H2,1-6H3
InChIKeyNFNWUWQAHMOAPG-UHFFFAOYSA-N
XLogP4.48
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.68
LogP ≤ 54.48
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

N-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pent-4-enyl]-4-methylbenzenesulfonamide
CID 10715848
2-[4-[2-(4-methyl-3-pyridinyl)ethylsulfamoyl]phenyl]acetic acid
CID 166242151
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methylbenzenesulfonamide
CID 110294366
tert-butyl-dimethyl-[2-[1-(4-methylphenyl)sulfonylindol-3-yl]ethoxy]silane
CID 11453175
N-[2-(4-tert-butylphenyl)ethyl]-4-methylbenzenesulfonamide
CID 171485871
[2-[tert-butyl(dimethyl)silyl]oxy-1,1-dideuterioethyl] 4-methylbenzenesulfonate
CID 169435361
N-[3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-4-methylbenzenesulfonamide
CID 163216298
2-[(4-methylphenyl)sulfonylamino]ethyl N-pyridin-3-ylcarbamate
CID 126457966
N-[tert-butyl(dimethyl)silyl]-4-methylbenzenesulfonamide
CID 91736357
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316
N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzenesulfonamide
CID 17101564
N-(3-tert-butylpenta-3,4-dienyl)-4-methylbenzenesulfonamide
CID 102272029

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-pyridinyl]ethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-pyridinyl]ethyl]-4-methylbenzenesulfonamide (CID 10670500) is N-[2-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-pyridinyl]ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-pyridinyl]ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-pyridinyl]ethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCc2ccncc2CCO[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of N-[2-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-pyridinyl]ethyl]-4-methylbenzenesulfonamide?
The InChIKey is NFNWUWQAHMOAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3SSi/c1-18-7-9-21(10-8-18)28(25,26)24-15-12-19-11-14-23-17-20(19)13-16-27-29(5,6)22(2,3)4/h7-11,14,17,24H,12-13,15-16H2,1-6H3.
What are the key properties of N-[2-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-pyridinyl]ethyl]-4-methylbenzenesulfonamide?
N-[2-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-pyridinyl]ethyl]-4-methylbenzenesulfonamide has a molecular weight of 434.68 g/mol, XLogP of 4.48, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-pyridinyl]ethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 10670500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).