N-[5-[(1R)-2-[[(1R)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]amino]-1-triethylsilyloxyethyl]-2-phenylmethoxyphenyl]methanesulfonamide

C37H47FN2O5SSi — CID 18662733

IUPACN-[5-[(1R)-2-[[(1R)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]amino]-1-triethylsilyloxyethyl]-2-phenylmethoxyphenyl]methanesulfonamide
SMILESCC[Si](CC)(CC)O[C@@H](CN[C@H](Cc1ccc(F)cc1)c1ccc(OC)cc1)c1ccc(OCc2ccccc2)c(NS(C)(=O)=O)c1
InChIInChI=1S/C37H47FN2O5SSi/c1-6-47(7-2,8-3)45-37(26-39-34(24-28-14-19-32(38)20-15-28)30-16-21-33(43-4)22-17-30)31-18-23-36(35(25-31)40-46(5,41)42)44-27-29-12-10-9-11-13-29/h9-23,25,34,37,39-40H,6-8,24,26-27H2,1-5H3/t34-,37+/m1/s1
InChIKeyUIMDRIAIULHGLA-BLPFIKBVSA-N
MW678.94 g/mol
LogP8.42
Rot. Bonds18

About N-[5-[(1R)-2-[[(1R)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]amino]-1-triethylsilyloxyethyl]-2-phenylmethoxyphenyl]methanesulfonamide

N-[5-[(1R)-2-[[(1R)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]amino]-1-triethylsilyloxyethyl]-2-phenylmethoxyphenyl]methanesulfonamide (PubChem CID 18662733) has the molecular formula C37H47FN2O5SSi and a molecular weight of 678.94 g/mol. Its IUPAC name is N-[5-[(1R)-2-[[(1R)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]amino]-1-triethylsilyloxyethyl]-2-phenylmethoxyphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[(1R)-2-[[(1R)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]amino]-1-triethylsilyloxyethyl]-2-phenylmethoxyphenyl]methanesulfonamide
PubChem CID18662733
Molecular FormulaC37H47FN2O5SSi
Molecular Weight678.94 g/mol
Exact Mass678.30
IUPAC NameN-[5-[(1R)-2-[[(1R)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]amino]-1-triethylsilyloxyethyl]-2-phenylmethoxyphenyl]methanesulfonamide
SMILESCC[Si](CC)(CC)O[C@@H](CN[C@H](Cc1ccc(F)cc1)c1ccc(OC)cc1)c1ccc(OCc2ccccc2)c(NS(C)(=O)=O)c1
InChIInChI=1S/C37H47FN2O5SSi/c1-6-47(7-2,8-3)45-37(26-39-34(24-28-14-19-32(38)20-15-28)30-16-21-33(43-4)22-17-30)31-18-23-36(35(25-31)40-46(5,41)42)44-27-29-12-10-9-11-13-29/h9-23,25,34,37,39-40H,6-8,24,26-27H2,1-5H3/t34-,37+/m1/s1
InChIKeyUIMDRIAIULHGLA-BLPFIKBVSA-N
XLogP8.42
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.94
LogP ≤ 58.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[5-[(1R)-2-[[(1R)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]amino]-1-triethylsilyloxyethyl]-2-phenylmethoxyphenyl]methanesulfonamide with MolForge

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Related Compounds

2-[[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[3-(methanesulfonamido)-4-phenylmethoxyphenyl]ethyl]amino]-2-(4-methoxyphenyl)acetic acid
CID 18661070
methyl 4-[(1R)-1-[[(1R)-2-[3-(methanesulfonamido)-4-phenylmethoxyphenyl]-1-triethylsilyloxyethyl]amino]-2-phenylethyl]benzoate
CID 139663762
2-(dimethylsulfamoylamino)-4-(2-iodo-1-triethylsilyloxyethyl)-1-phenylmethoxybenzene
CID 18615149
N-[2,5-bis(phenylmethoxy)phenyl]methanesulfonamide
CID 70516197
N-[5-[(1R)-2-[[1-(4-fluorophenyl)-2-phenylethyl]amino]-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide
CID 11238318
7-[2-[[2-[3-(dimethylsulfamoylamino)-4-phenylmethoxyphenyl]-2-triethylsilyloxyethyl]amino]ethoxy]-2,3,4,9-tetrahydro-1H-carbazole
CID 22111223
N-[5-[(1R)-2-[[1,1-bis(4-methoxy-3-methylphenyl)-3-phenylpropan-2-yl]amino]-1-hydroxyethyl]-2-phenylmethoxyphenyl]methanesulfonamide
CID 90718334
N-[5-[(1R)-2-[[(1R)-1-[4-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)ethyl]amino]-1-hydroxyethyl]-2-fluorophenyl]methanesulfonamide
CID 18662705
N-[5-[(1R)-1-hydroxy-3-phenylpropyl]-2-phenylmethoxyphenyl]methanesulfonamide
CID 173182413
N-[1-(4-methoxyphenyl)-2-phenylethyl]propan-1-amine
CID 43495037
N-[5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-phenylmethoxyethyl]-2-phenylmethoxyphenyl]methanesulfonamide
CID 11734879
(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 95299596

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1R)-2-[[(1R)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]amino]-1-triethylsilyloxyethyl]-2-phenylmethoxyphenyl]methanesulfonamide?
The IUPAC name of N-[5-[(1R)-2-[[(1R)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]amino]-1-triethylsilyloxyethyl]-2-phenylmethoxyphenyl]methanesulfonamide (CID 18662733) is N-[5-[(1R)-2-[[(1R)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]amino]-1-triethylsilyloxyethyl]-2-phenylmethoxyphenyl]methanesulfonamide.
What is the SMILES notation for N-[5-[(1R)-2-[[(1R)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]amino]-1-triethylsilyloxyethyl]-2-phenylmethoxyphenyl]methanesulfonamide?
The canonical SMILES for N-[5-[(1R)-2-[[(1R)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]amino]-1-triethylsilyloxyethyl]-2-phenylmethoxyphenyl]methanesulfonamide is CC[Si](CC)(CC)O[C@@H](CN[C@H](Cc1ccc(F)cc1)c1ccc(OC)cc1)c1ccc(OCc2ccccc2)c(NS(C)(=O)=O)c1.
What is the InChIKey of N-[5-[(1R)-2-[[(1R)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]amino]-1-triethylsilyloxyethyl]-2-phenylmethoxyphenyl]methanesulfonamide?
The InChIKey is UIMDRIAIULHGLA-BLPFIKBVSA-N. The full InChI is InChI=1S/C37H47FN2O5SSi/c1-6-47(7-2,8-3)45-37(26-39-34(24-28-14-19-32(38)20-15-28)30-16-21-33(43-4)22-17-30)31-18-23-36(35(25-31)40-46(5,41)42)44-27-29-12-10-9-11-13-29/h9-23,25,34,37,39-40H,6-8,24,26-27H2,1-5H3/t34-,37+/m1/s1.
What are the key properties of N-[5-[(1R)-2-[[(1R)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]amino]-1-triethylsilyloxyethyl]-2-phenylmethoxyphenyl]methanesulfonamide?
N-[5-[(1R)-2-[[(1R)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]amino]-1-triethylsilyloxyethyl]-2-phenylmethoxyphenyl]methanesulfonamide has a molecular weight of 678.94 g/mol, XLogP of 8.42, 18 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1R)-2-[[(1R)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]amino]-1-triethylsilyloxyethyl]-2-phenylmethoxyphenyl]methanesulfonamide is sourced from PubChem (CID 18662733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).