N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxyhexa-3,4-dien-2-yl]-2,4,6-trimethylbenzenesulfonamide

C21H35NO3SSi — CID 15537762

IUPACN-[(2R)-1-[tert-butyl(dimethyl)silyl]oxyhexa-3,4-dien-2-yl]-2,4,6-trimethylbenzenesulfonamide
SMILESCC=C=C[C@H](CO[Si](C)(C)C(C)(C)C)NS(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C21H35NO3SSi/c1-10-11-12-19(15-25-27(8,9)21(5,6)7)22-26(23,24)20-17(3)13-16(2)14-18(20)4/h10,12-14,19,22H,15H2,1-9H3/t11?,19-/m1/s1
InChIKeyCPAWTAHRXMKDDJ-IMFVZPHKSA-N
MW409.67 g/mol
LogP5.01
Rot. Bonds7

About N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxyhexa-3,4-dien-2-yl]-2,4,6-trimethylbenzenesulfonamide

N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxyhexa-3,4-dien-2-yl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 15537762) has the molecular formula C21H35NO3SSi and a molecular weight of 409.67 g/mol. Its IUPAC name is N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxyhexa-3,4-dien-2-yl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-[tert-butyl(dimethyl)silyl]oxyhexa-3,4-dien-2-yl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID15537762
Molecular FormulaC21H35NO3SSi
Molecular Weight409.67 g/mol
Exact Mass409.21
IUPAC NameN-[(2R)-1-[tert-butyl(dimethyl)silyl]oxyhexa-3,4-dien-2-yl]-2,4,6-trimethylbenzenesulfonamide
SMILESCC=C=C[C@H](CO[Si](C)(C)C(C)(C)C)NS(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C21H35NO3SSi/c1-10-11-12-19(15-25-27(8,9)21(5,6)7)22-26(23,24)20-17(3)13-16(2)14-18(20)4/h10,12-14,19,22H,15H2,1-9H3/t11?,19-/m1/s1
InChIKeyCPAWTAHRXMKDDJ-IMFVZPHKSA-N
XLogP5.01
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.67
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxyhexa-3,4-dien-2-yl]-2,4,6-trimethylbenzenesulfonamide with MolForge

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Related Compounds

N-(2-hydroxyethyl)-2,4,6-trimethylbenzenesulfonamide
CID 2836113
N-(2-methoxyethyl)-2,4,6-trimethylbenzenesulfonamide
CID 2057946
N-(1-methoxypropan-2-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide
CID 2904448
N-(1-methoxypropan-2-yl)-2,4,6-trimethylbenzenesulfonamide
CID 2904734
2,4,6-trimethyl-N-[(3S)-2-methylhexa-4,5-dien-3-yl]benzenesulfonamide
CID 15866141
N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,4-bis(fluoromethyl)benzenesulfonamide
CID 91267901
2,4,6-trimethyl-N-propan-2-ylbenzenesulfonamide
CID 669056
2,4,6-trimethyl-N-[(3S)-2-methyldeca-4,5-dien-3-yl]benzenesulfonamide
CID 10959028
2,4,6-trimethyl-N-[(3R)-2-methylhepta-5,6-dien-3-yl]benzenesulfonamide
CID 11001307
2,4,6-trimethyl-N-[(3S)-2-methylhepta-4,5-dien-3-yl]benzenesulfonamide
CID 11001309
2,4,6-trimethyl-N-[(3S)-2-methyl-6-tributylstannylhexa-4,5-dien-3-yl]benzenesulfonamide
CID 11060932
2,4,6-trimethyl-N-[(3R)-2-methylhepta-4,5-dien-3-yl]benzenesulfonamide
CID 12169739

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxyhexa-3,4-dien-2-yl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxyhexa-3,4-dien-2-yl]-2,4,6-trimethylbenzenesulfonamide (CID 15537762) is N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxyhexa-3,4-dien-2-yl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxyhexa-3,4-dien-2-yl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxyhexa-3,4-dien-2-yl]-2,4,6-trimethylbenzenesulfonamide is CC=C=C[C@H](CO[Si](C)(C)C(C)(C)C)NS(=O)(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxyhexa-3,4-dien-2-yl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is CPAWTAHRXMKDDJ-IMFVZPHKSA-N. The full InChI is InChI=1S/C21H35NO3SSi/c1-10-11-12-19(15-25-27(8,9)21(5,6)7)22-26(23,24)20-17(3)13-16(2)14-18(20)4/h10,12-14,19,22H,15H2,1-9H3/t11?,19-/m1/s1.
What are the key properties of N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxyhexa-3,4-dien-2-yl]-2,4,6-trimethylbenzenesulfonamide?
N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxyhexa-3,4-dien-2-yl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 409.67 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxyhexa-3,4-dien-2-yl]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 15537762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).