N-[[dimethyl(phenyl)silyl]-(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide

C23H27NO3SSi — CID 135061696

IUPACN-[[dimethyl(phenyl)silyl]-(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
SMILESCOc1ccccc1C(NS(=O)(=O)c1ccc(C)cc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C23H27NO3SSi/c1-18-14-16-19(17-15-18)28(25,26)24-23(21-12-8-9-13-22(21)27-2)29(3,4)20-10-6-5-7-11-20/h5-17,23-24H,1-4H3
InChIKeyPKMAMAGVNZMRNC-UHFFFAOYSA-N
MW425.63 g/mol
LogP4.18
Rot. Bonds7

About N-[[dimethyl(phenyl)silyl]-(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide

N-[[dimethyl(phenyl)silyl]-(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide (PubChem CID 135061696) has the molecular formula C23H27NO3SSi and a molecular weight of 425.63 g/mol. Its IUPAC name is N-[[dimethyl(phenyl)silyl]-(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[dimethyl(phenyl)silyl]-(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
PubChem CID135061696
Molecular FormulaC23H27NO3SSi
Molecular Weight425.63 g/mol
Exact Mass425.15
IUPAC NameN-[[dimethyl(phenyl)silyl]-(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
SMILESCOc1ccccc1C(NS(=O)(=O)c1ccc(C)cc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C23H27NO3SSi/c1-18-14-16-19(17-15-18)28(25,26)24-23(21-12-8-9-13-22(21)27-2)29(3,4)20-10-6-5-7-11-20/h5-17,23-24H,1-4H3
InChIKeyPKMAMAGVNZMRNC-UHFFFAOYSA-N
XLogP4.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.63
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[dimethyl(phenyl)silyl]-(2-methoxyphenyl)methyl]-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-[(R)-[dimethyl(phenyl)silyl]-phenylmethyl]-4-methylbenzenesulfonamide
CID 132990503
N-[1-[dimethyl(phenyl)silyl]propyl]-4-methylbenzenesulfonamide
CID 164685920
N-[(1R)-1-(2-methoxyphenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide
CID 134955289
N-[(S)-[dimethyl(phenyl)silyl]-(3-nitrophenyl)methyl]-4-methylbenzenesulfonamide
CID 164686349
N-[(4-chlorophenyl)-(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 122208016
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-[2-hydroxy-2-(2-methoxyphenyl)-1-naphthalen-2-ylethyl]-4-methylbenzenesulfonamide
CID 101182507
N-[(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]-4-methylbenzenesulfonamide
CID 1391150
4-chloro-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 18083064
N-[(3,4-dimethoxyphenyl)-diphenylphosphorylmethyl]-4-methylbenzenesulfonamide
CID 21204749
N-[(1S,2S)-2-methoxy-2-phenyl-1-[2-(trifluoromethyl)phenyl]ethyl]-4-methylbenzenesulfonamide
CID 11775267

Frequently Asked Questions

What is the IUPAC name of N-[[dimethyl(phenyl)silyl]-(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[[dimethyl(phenyl)silyl]-(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide (CID 135061696) is N-[[dimethyl(phenyl)silyl]-(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[[dimethyl(phenyl)silyl]-(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[[dimethyl(phenyl)silyl]-(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide is COc1ccccc1C(NS(=O)(=O)c1ccc(C)cc1)[Si](C)(C)c1ccccc1.
What is the InChIKey of N-[[dimethyl(phenyl)silyl]-(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide?
The InChIKey is PKMAMAGVNZMRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3SSi/c1-18-14-16-19(17-15-18)28(25,26)24-23(21-12-8-9-13-22(21)27-2)29(3,4)20-10-6-5-7-11-20/h5-17,23-24H,1-4H3.
What are the key properties of N-[[dimethyl(phenyl)silyl]-(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide?
N-[[dimethyl(phenyl)silyl]-(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide has a molecular weight of 425.63 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[dimethyl(phenyl)silyl]-(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 135061696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).