N-[1-[dimethyl(phenyl)silyl]-1-phenylbut-3-enyl]-4-methylbenzenesulfonamide

C25H29NO2SSi — CID 102294027

IUPACN-[1-[dimethyl(phenyl)silyl]-1-phenylbut-3-enyl]-4-methylbenzenesulfonamide
SMILESC=CCC(NS(=O)(=O)c1ccc(C)cc1)(c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C25H29NO2SSi/c1-5-20-25(22-12-8-6-9-13-22,30(3,4)24-14-10-7-11-15-24)26-29(27,28)23-18-16-21(2)17-19-23/h5-19,26H,1,20H2,2-4H3
InChIKeyKYLDWIAIYUAPLL-UHFFFAOYSA-N
MW435.67 g/mol
LogP4.90
Rot. Bonds8

About N-[1-[dimethyl(phenyl)silyl]-1-phenylbut-3-enyl]-4-methylbenzenesulfonamide

N-[1-[dimethyl(phenyl)silyl]-1-phenylbut-3-enyl]-4-methylbenzenesulfonamide (PubChem CID 102294027) has the molecular formula C25H29NO2SSi and a molecular weight of 435.67 g/mol. Its IUPAC name is N-[1-[dimethyl(phenyl)silyl]-1-phenylbut-3-enyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[dimethyl(phenyl)silyl]-1-phenylbut-3-enyl]-4-methylbenzenesulfonamide
PubChem CID102294027
Molecular FormulaC25H29NO2SSi
Molecular Weight435.67 g/mol
Exact Mass435.17
IUPAC NameN-[1-[dimethyl(phenyl)silyl]-1-phenylbut-3-enyl]-4-methylbenzenesulfonamide
SMILESC=CCC(NS(=O)(=O)c1ccc(C)cc1)(c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C25H29NO2SSi/c1-5-20-25(22-12-8-6-9-13-22,30(3,4)24-14-10-7-11-15-24)26-29(27,28)23-18-16-21(2)17-19-23/h5-19,26H,1,20H2,2-4H3
InChIKeyKYLDWIAIYUAPLL-UHFFFAOYSA-N
XLogP4.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.67
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[[dimethyl(phenyl)silyl]-diphenylmethyl]-4-methylbenzenesulfonamide
CID 102294028
4-methyl-N-[1-[methyl(diphenyl)silyl]-1-phenylheptyl]benzenesulfonamide
CID 164685134
N-[(E)-1-cyano-1,3-diphenylprop-2-enyl]-4-methylbenzenesulfonamide
CID 11954463
N-[(1S)-1-hydroxy-1-phenylpropyl]-4-methylbenzenesulfonamide
CID 21032380
N-(3-hydroxyhexa-1,5-dien-3-yl)benzenesulfonamide
CID 69095347
N-[2,2-bis(prop-2-enyl)pent-4-enyl]-4-methylbenzenesulfonamide
CID 156694376
1-(1-isocyano-1-phenylbut-3-enyl)sulfonyl-4-methylbenzene
CID 22216449
4-methyl-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)benzenesulfonamide
CID 75458388
N-[(4E)-2,2-diphenylhepta-4,6-dienyl]-4-methylbenzenesulfonamide
CID 135016507
N-[(2S,4R)-4-[dimethyl(phenyl)silyl]hex-5-en-2-yl]-4-methylbenzenesulfonamide
CID 15418147
N-[(2S,4S)-4-[dimethyl(phenyl)silyl]hex-5-en-2-yl]-4-methylbenzenesulfonamide
CID 15418146
N-(1-cyano-1-phenylbutyl)-4-methylbenzenesulfonamide
CID 135070539

Frequently Asked Questions

What is the IUPAC name of N-[1-[dimethyl(phenyl)silyl]-1-phenylbut-3-enyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[1-[dimethyl(phenyl)silyl]-1-phenylbut-3-enyl]-4-methylbenzenesulfonamide (CID 102294027) is N-[1-[dimethyl(phenyl)silyl]-1-phenylbut-3-enyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-[dimethyl(phenyl)silyl]-1-phenylbut-3-enyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[1-[dimethyl(phenyl)silyl]-1-phenylbut-3-enyl]-4-methylbenzenesulfonamide is C=CCC(NS(=O)(=O)c1ccc(C)cc1)(c1ccccc1)[Si](C)(C)c1ccccc1.
What is the InChIKey of N-[1-[dimethyl(phenyl)silyl]-1-phenylbut-3-enyl]-4-methylbenzenesulfonamide?
The InChIKey is KYLDWIAIYUAPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO2SSi/c1-5-20-25(22-12-8-6-9-13-22,30(3,4)24-14-10-7-11-15-24)26-29(27,28)23-18-16-21(2)17-19-23/h5-19,26H,1,20H2,2-4H3.
What are the key properties of N-[1-[dimethyl(phenyl)silyl]-1-phenylbut-3-enyl]-4-methylbenzenesulfonamide?
N-[1-[dimethyl(phenyl)silyl]-1-phenylbut-3-enyl]-4-methylbenzenesulfonamide has a molecular weight of 435.67 g/mol, XLogP of 4.90, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[dimethyl(phenyl)silyl]-1-phenylbut-3-enyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 102294027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).