2-(4-bromo-2-methoxyphenoxy)-N-[2-[3-[methylsulfonyl(2-trimethylsilylethoxymethyl)amino]-4-(2-trimethylsilylethoxymethoxy)phenyl]-2-triethylsilyloxyethyl]acetamide

C36H63BrN2O9SSi3 — CID 23134288

IUPAC2-(4-bromo-2-methoxyphenoxy)-N-[2-[3-[methylsulfonyl(2-trimethylsilylethoxymethyl)amino]-4-(2-trimethylsilylethoxymethoxy)phenyl]-2-triethylsilyloxyethyl]acetamide
SMILESCC[Si](CC)(CC)OC(CNC(=O)COc1ccc(Br)cc1OC)c1ccc(OCOCC[Si](C)(C)C)c(N(COCC[Si](C)(C)C)S(C)(=O)=O)c1
InChIInChI=1S/C36H63BrN2O9SSi3/c1-12-52(13-2,14-3)48-35(25-38-36(40)26-46-33-18-16-30(37)24-34(33)43-4)29-15-17-32(47-28-45-20-22-51(9,10)11)31(23-29)39(49(5,41)42)27-44-19-21-50(6,7)8/h15-18,23-24,35H,12-14,19-22,25-28H2,1-11H3,(H,38,40)
InChIKeyDUXRCACJGMJARQ-UHFFFAOYSA-N
MW864.13 g/mol
LogP8.49
Rot. Bonds25

About 2-(4-bromo-2-methoxyphenoxy)-N-[2-[3-[methylsulfonyl(2-trimethylsilylethoxymethyl)amino]-4-(2-trimethylsilylethoxymethoxy)phenyl]-2-triethylsilyloxyethyl]acetamide

2-(4-bromo-2-methoxyphenoxy)-N-[2-[3-[methylsulfonyl(2-trimethylsilylethoxymethyl)amino]-4-(2-trimethylsilylethoxymethoxy)phenyl]-2-triethylsilyloxyethyl]acetamide (PubChem CID 23134288) has the molecular formula C36H63BrN2O9SSi3 and a molecular weight of 864.13 g/mol. Its IUPAC name is 2-(4-bromo-2-methoxyphenoxy)-N-[2-[3-[methylsulfonyl(2-trimethylsilylethoxymethyl)amino]-4-(2-trimethylsilylethoxymethoxy)phenyl]-2-triethylsilyloxyethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-methoxyphenoxy)-N-[2-[3-[methylsulfonyl(2-trimethylsilylethoxymethyl)amino]-4-(2-trimethylsilylethoxymethoxy)phenyl]-2-triethylsilyloxyethyl]acetamide
PubChem CID23134288
Molecular FormulaC36H63BrN2O9SSi3
Molecular Weight864.13 g/mol
Exact Mass862.27
IUPAC Name2-(4-bromo-2-methoxyphenoxy)-N-[2-[3-[methylsulfonyl(2-trimethylsilylethoxymethyl)amino]-4-(2-trimethylsilylethoxymethoxy)phenyl]-2-triethylsilyloxyethyl]acetamide
SMILESCC[Si](CC)(CC)OC(CNC(=O)COc1ccc(Br)cc1OC)c1ccc(OCOCC[Si](C)(C)C)c(N(COCC[Si](C)(C)C)S(C)(=O)=O)c1
InChIInChI=1S/C36H63BrN2O9SSi3/c1-12-52(13-2,14-3)48-35(25-38-36(40)26-46-33-18-16-30(37)24-34(33)43-4)29-15-17-32(47-28-45-20-22-51(9,10)11)31(23-29)39(49(5,41)42)27-44-19-21-50(6,7)8/h15-18,23-24,35H,12-14,19-22,25-28H2,1-11H3,(H,38,40)
InChIKeyDUXRCACJGMJARQ-UHFFFAOYSA-N
XLogP8.49
TPSA121.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds25
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500864.13
LogP ≤ 58.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-(4-bromo-2-methoxyphenoxy)-N-[2-[3-[methylsulfonyl(2-trimethylsilylethoxymethyl)amino]-4-(2-trimethylsilylethoxymethoxy)phenyl]-2-triethylsilyloxyethyl]acetamide 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

2-(4-bromo-2,6-dimethylphenoxy)-N-[(2R)-2-[3-[methylsulfonyl(2-trimethylsilylethoxymethyl)amino]-4-(2-trimethylsilylethoxymethoxy)phenyl]-2-triethylsilyloxyethyl]acetamide
CID 69202850
2-(4-bromo-2-methoxyphenoxy)-N-[2-hydroxy-2-[3-[methylsulfonyl(2-trimethylsilylethoxymethyl)amino]-4-(2-trimethylsilylethoxymethoxy)phenyl]ethyl]acetamide
CID 23134095
2-(4-bromo-2-chlorophenoxy)-N-[(2S)-2-hydroxy-2-[3-[methylsulfonyl(2-trimethylsilylethoxymethyl)amino]-4-(2-trimethylsilylethoxymethoxy)phenyl]ethyl]acetamide
CID 69202233
2-(4-bromo-2-chlorophenoxy)-N-[(2R)-2-hydroxy-2-[3-[methylsulfonyl(2-trimethylsilylethoxymethyl)amino]-4-(2-trimethylsilylethoxymethoxy)phenyl]ethyl]acetamide
CID 69202231
2-(4-bromo-2-methoxyphenoxy)-N-[(2R)-2-[4-hydroxy-3-(methanesulfonamido)phenyl]-2-triethylsilyloxyethyl]acetamide
CID 69202322
N-[5-[2-[2-(4-bromo-3,5-dimethylphenoxy)ethylamino]-1-hydroxyethyl]-2-(2-trimethylsilylethoxymethoxy)phenyl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide
CID 23134299
4-bromo-2-methoxyphenol;2-[(4-bromo-2-methoxyphenoxy)methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane
CID 159501302
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-[4-[ethyl(methylsulfonyl)amino]phenoxy]acetamide
CID 28561063
N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 2998274
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide
CID 30149538
2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-(2-methoxyethyl)acetamide
CID 78931398
2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]-N-(2-methoxyethyl)acetamide
CID 60728745

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methoxyphenoxy)-N-[2-[3-[methylsulfonyl(2-trimethylsilylethoxymethyl)amino]-4-(2-trimethylsilylethoxymethoxy)phenyl]-2-triethylsilyloxyethyl]acetamide?
The IUPAC name of 2-(4-bromo-2-methoxyphenoxy)-N-[2-[3-[methylsulfonyl(2-trimethylsilylethoxymethyl)amino]-4-(2-trimethylsilylethoxymethoxy)phenyl]-2-triethylsilyloxyethyl]acetamide (CID 23134288) is 2-(4-bromo-2-methoxyphenoxy)-N-[2-[3-[methylsulfonyl(2-trimethylsilylethoxymethyl)amino]-4-(2-trimethylsilylethoxymethoxy)phenyl]-2-triethylsilyloxyethyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-methoxyphenoxy)-N-[2-[3-[methylsulfonyl(2-trimethylsilylethoxymethyl)amino]-4-(2-trimethylsilylethoxymethoxy)phenyl]-2-triethylsilyloxyethyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-methoxyphenoxy)-N-[2-[3-[methylsulfonyl(2-trimethylsilylethoxymethyl)amino]-4-(2-trimethylsilylethoxymethoxy)phenyl]-2-triethylsilyloxyethyl]acetamide is CC[Si](CC)(CC)OC(CNC(=O)COc1ccc(Br)cc1OC)c1ccc(OCOCC[Si](C)(C)C)c(N(COCC[Si](C)(C)C)S(C)(=O)=O)c1.
What is the InChIKey of 2-(4-bromo-2-methoxyphenoxy)-N-[2-[3-[methylsulfonyl(2-trimethylsilylethoxymethyl)amino]-4-(2-trimethylsilylethoxymethoxy)phenyl]-2-triethylsilyloxyethyl]acetamide?
The InChIKey is DUXRCACJGMJARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H63BrN2O9SSi3/c1-12-52(13-2,14-3)48-35(25-38-36(40)26-46-33-18-16-30(37)24-34(33)43-4)29-15-17-32(47-28-45-20-22-51(9,10)11)31(23-29)39(49(5,41)42)27-44-19-21-50(6,7)8/h15-18,23-24,35H,12-14,19-22,25-28H2,1-11H3,(H,38,40).
What are the key properties of 2-(4-bromo-2-methoxyphenoxy)-N-[2-[3-[methylsulfonyl(2-trimethylsilylethoxymethyl)amino]-4-(2-trimethylsilylethoxymethoxy)phenyl]-2-triethylsilyloxyethyl]acetamide?
2-(4-bromo-2-methoxyphenoxy)-N-[2-[3-[methylsulfonyl(2-trimethylsilylethoxymethyl)amino]-4-(2-trimethylsilylethoxymethoxy)phenyl]-2-triethylsilyloxyethyl]acetamide has a molecular weight of 864.13 g/mol, XLogP of 8.49, 25 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methoxyphenoxy)-N-[2-[3-[methylsulfonyl(2-trimethylsilylethoxymethyl)amino]-4-(2-trimethylsilylethoxymethoxy)phenyl]-2-triethylsilyloxyethyl]acetamide is sourced from PubChem (CID 23134288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).