N-benzyl-N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylbenzenesulfonamide

C23H35NO3SSi — CID 53306514

IUPACN-benzyl-N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCCO[Si](C)(C)C(C)(C)C)Cc2ccccc2)cc1
InChIInChI=1S/C23H35NO3SSi/c1-20-13-15-22(16-14-20)28(25,26)24(19-21-11-8-7-9-12-21)17-10-18-27-29(5,6)23(2,3)4/h7-9,11-16H,10,17-19H2,1-6H3
InChIKeyOEOJHMWZDFBLKX-UHFFFAOYSA-N
MW433.69 g/mol
LogP5.60
Rot. Bonds9

About N-benzyl-N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylbenzenesulfonamide

N-benzyl-N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylbenzenesulfonamide (PubChem CID 53306514) has the molecular formula C23H35NO3SSi and a molecular weight of 433.69 g/mol. Its IUPAC name is N-benzyl-N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylbenzenesulfonamide
PubChem CID53306514
Molecular FormulaC23H35NO3SSi
Molecular Weight433.69 g/mol
Exact Mass433.21
IUPAC NameN-benzyl-N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCCO[Si](C)(C)C(C)(C)C)Cc2ccccc2)cc1
InChIInChI=1S/C23H35NO3SSi/c1-20-13-15-22(16-14-20)28(25,26)24(19-21-11-8-7-9-12-21)17-10-18-27-29(5,6)23(2,3)4/h7-9,11-16H,10,17-19H2,1-6H3
InChIKeyOEOJHMWZDFBLKX-UHFFFAOYSA-N
XLogP5.60
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.69
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-benzyl-N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-bis[2-[benzyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 10700219
2-[benzyl-(4-methylphenyl)sulfonylamino]ethyl 3-oxo-3-phenylpropanoate
CID 101135511
N-[2-(benzenesulfinyl)ethyl]-N-benzyl-4-methylbenzenesulfonamide
CID 134877201
N-benzyl-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-4-methylbenzenesulfonamide
CID 10551502
4-[[(4-carboxyphenyl)sulfonyl-[(4-methylphenyl)methyl]amino]methyl]benzoic acid
CID 123408853
3-[(4-methylphenyl)sulfonyl-[4-[(4-methylphenyl)sulfonyl-(3-methylsulfonyloxypropyl)amino]butyl]amino]propyl methanesulfonate
CID 23242814
N,N-bis[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline
CID 10694288
N-(3-aminopropyl)-N-benzyl-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 120664173
tert-butyl (2S)-2-[benzyl-(4-methylphenyl)sulfonylamino]-3-methylbutanoate
CID 100984415
N-benzyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 54184847
N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 668951
N-benzyl-N-[[4-(diethylamino)phenyl]methyl]-4-methylbenzenesulfonamide
CID 71624052

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-benzyl-N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylbenzenesulfonamide (CID 53306514) is N-benzyl-N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-benzyl-N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(CCCO[Si](C)(C)C(C)(C)C)Cc2ccccc2)cc1.
What is the InChIKey of N-benzyl-N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylbenzenesulfonamide?
The InChIKey is OEOJHMWZDFBLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35NO3SSi/c1-20-13-15-22(16-14-20)28(25,26)24(19-21-11-8-7-9-12-21)17-10-18-27-29(5,6)23(2,3)4/h7-9,11-16H,10,17-19H2,1-6H3.
What are the key properties of N-benzyl-N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylbenzenesulfonamide?
N-benzyl-N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylbenzenesulfonamide has a molecular weight of 433.69 g/mol, XLogP of 5.60, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 53306514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).