N-[(2S,4S)-4-[dimethyl(phenyl)silyl]hex-5-en-2-yl]-4-methylbenzenesulfonamide

C21H29NO2SSi — CID 15418146

IUPACN-[(2S,4S)-4-[dimethyl(phenyl)silyl]hex-5-en-2-yl]-4-methylbenzenesulfonamide
SMILESC=C[C@H](C[C@H](C)NS(=O)(=O)c1ccc(C)cc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C21H29NO2SSi/c1-6-20(26(4,5)21-10-8-7-9-11-21)16-18(3)22-25(23,24)19-14-12-17(2)13-15-19/h6-15,18,20,22H,1,16H2,2-5H3/t18-,20+/m0/s1
InChIKeyRKQNWTPVYMGWTI-AZUAARDMSA-N
MW387.62 g/mol
LogP4.22
Rot. Bonds8

About N-[(2S,4S)-4-[dimethyl(phenyl)silyl]hex-5-en-2-yl]-4-methylbenzenesulfonamide

N-[(2S,4S)-4-[dimethyl(phenyl)silyl]hex-5-en-2-yl]-4-methylbenzenesulfonamide (PubChem CID 15418146) has the molecular formula C21H29NO2SSi and a molecular weight of 387.62 g/mol. Its IUPAC name is N-[(2S,4S)-4-[dimethyl(phenyl)silyl]hex-5-en-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2S,4S)-4-[dimethyl(phenyl)silyl]hex-5-en-2-yl]-4-methylbenzenesulfonamide
PubChem CID15418146
Molecular FormulaC21H29NO2SSi
Molecular Weight387.62 g/mol
Exact Mass387.17
IUPAC NameN-[(2S,4S)-4-[dimethyl(phenyl)silyl]hex-5-en-2-yl]-4-methylbenzenesulfonamide
SMILESC=C[C@H](C[C@H](C)NS(=O)(=O)c1ccc(C)cc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C21H29NO2SSi/c1-6-20(26(4,5)21-10-8-7-9-11-21)16-18(3)22-25(23,24)19-14-12-17(2)13-15-19/h6-15,18,20,22H,1,16H2,2-5H3/t18-,20+/m0/s1
InChIKeyRKQNWTPVYMGWTI-AZUAARDMSA-N
XLogP4.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.62
LogP ≤ 54.22
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-[(2S,4R)-4-[dimethyl(phenyl)silyl]hex-5-en-2-yl]-4-methylbenzenesulfonamide
CID 15418147
N-[1-[dimethyl(phenyl)silyl]propyl]-4-methylbenzenesulfonamide
CID 164685920
4-methyl-N-[(2R,4R)-4-[(4-methylphenyl)sulfonylamino]pentan-2-yl]benzenesulfonamide
CID 73054079
N-[(R)-[dimethyl(phenyl)silyl]-phenylmethyl]-4-methylbenzenesulfonamide
CID 132990503
N-[(2S)-hex-5-en-2-yl]-4-methylbenzenesulfonamide
CID 102308151
N-[[dimethyl(phenyl)silyl]-(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 135061696
4-methyl-N-[(1R,2R)-2-methyl-1-(4-methylphenyl)but-3-enyl]benzenesulfonamide
CID 100938085
4-methyl-N-(1-sulfanylpropan-2-yl)benzenesulfonamide
CID 22711650
4-methyl-N-[(5E)-4-methylhepta-1,5-dien-3-yl]benzenesulfonamide
CID 100946178
4-methyl-N-[(2S)-1,1,1-trideuterio-3-phenylpropan-2-yl]benzenesulfonamide
CID 71752636
4-methyl-N-[(2S)-1-phenylpent-4-en-2-yl]benzenesulfonamide
CID 45102183
4-methyl-N-(4-oxo-5-phenylpentan-2-yl)benzenesulfonamide
CID 11301998

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4S)-4-[dimethyl(phenyl)silyl]hex-5-en-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(2S,4S)-4-[dimethyl(phenyl)silyl]hex-5-en-2-yl]-4-methylbenzenesulfonamide (CID 15418146) is N-[(2S,4S)-4-[dimethyl(phenyl)silyl]hex-5-en-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2S,4S)-4-[dimethyl(phenyl)silyl]hex-5-en-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(2S,4S)-4-[dimethyl(phenyl)silyl]hex-5-en-2-yl]-4-methylbenzenesulfonamide is C=C[C@H](C[C@H](C)NS(=O)(=O)c1ccc(C)cc1)[Si](C)(C)c1ccccc1.
What is the InChIKey of N-[(2S,4S)-4-[dimethyl(phenyl)silyl]hex-5-en-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is RKQNWTPVYMGWTI-AZUAARDMSA-N. The full InChI is InChI=1S/C21H29NO2SSi/c1-6-20(26(4,5)21-10-8-7-9-11-21)16-18(3)22-25(23,24)19-14-12-17(2)13-15-19/h6-15,18,20,22H,1,16H2,2-5H3/t18-,20+/m0/s1.
What are the key properties of N-[(2S,4S)-4-[dimethyl(phenyl)silyl]hex-5-en-2-yl]-4-methylbenzenesulfonamide?
N-[(2S,4S)-4-[dimethyl(phenyl)silyl]hex-5-en-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 387.62 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4S)-4-[dimethyl(phenyl)silyl]hex-5-en-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 15418146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).