N-benzyl-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-4-methylbenzenesulfonamide

C26H31NO2SSi — CID 10551502

IUPACN-benzyl-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-4-methylbenzenesulfonamide
SMILESC/C=C(/CN(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C26H31NO2SSi/c1-5-25(31(3,4)26-14-10-7-11-15-26)21-27(20-23-12-8-6-9-13-23)30(28,29)24-18-16-22(2)17-19-24/h5-19H,20-21H2,1-4H3/b25-5-
InChIKeyNYIWNRFAXMESEF-FISMNSNESA-N
MW449.69 g/mol
LogP5.29
Rot. Bonds8

About N-benzyl-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-4-methylbenzenesulfonamide

N-benzyl-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-4-methylbenzenesulfonamide (PubChem CID 10551502) has the molecular formula C26H31NO2SSi and a molecular weight of 449.69 g/mol. Its IUPAC name is N-benzyl-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-4-methylbenzenesulfonamide
PubChem CID10551502
Molecular FormulaC26H31NO2SSi
Molecular Weight449.69 g/mol
Exact Mass449.18
IUPAC NameN-benzyl-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-4-methylbenzenesulfonamide
SMILESC/C=C(/CN(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C26H31NO2SSi/c1-5-25(31(3,4)26-14-10-7-11-15-26)21-27(20-23-12-8-6-9-13-23)30(28,29)24-18-16-22(2)17-19-24/h5-19H,20-21H2,1-4H3/b25-5-
InChIKeyNYIWNRFAXMESEF-FISMNSNESA-N
XLogP5.29
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.69
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis[2-[benzyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 10700219
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 3114020
2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetate
CID 7317776
2-[benzenesulfonyl(benzyl)amino]-N-(4-methylphenyl)acetamide
CID 2854852
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-butylacetamide
CID 126067032
N-benzyl-N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylbenzenesulfonamide
CID 53306514
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(4-iodophenyl)acetamide
CID 1209132
N-benzyl-N-[[4-(diethylamino)phenyl]methyl]-4-methylbenzenesulfonamide
CID 71624052
N-benzyl-N-[(4-methylphenyl)methyl]-4-(2H-tetrazol-5-yl)benzenesulfonamide
CID 123162649
N,N-dibenzyl-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 126067531
N-hydroxy-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 100984437
N-benzyl-N-[2-[benzyl-(4-methylphenyl)sulfonylamino]ethynyl]-4-methylbenzenesulfonamide
CID 162397950

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-benzyl-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-4-methylbenzenesulfonamide (CID 10551502) is N-benzyl-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-benzyl-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-4-methylbenzenesulfonamide is C/C=C(/CN(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1)[Si](C)(C)c1ccccc1.
What is the InChIKey of N-benzyl-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-4-methylbenzenesulfonamide?
The InChIKey is NYIWNRFAXMESEF-FISMNSNESA-N. The full InChI is InChI=1S/C26H31NO2SSi/c1-5-25(31(3,4)26-14-10-7-11-15-26)21-27(20-23-12-8-6-9-13-23)30(28,29)24-18-16-22(2)17-19-24/h5-19H,20-21H2,1-4H3/b25-5-.
What are the key properties of N-benzyl-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-4-methylbenzenesulfonamide?
N-benzyl-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-4-methylbenzenesulfonamide has a molecular weight of 449.69 g/mol, XLogP of 5.29, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 10551502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).