N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-2-methylsulfonylacetamide

C23H30FNO5SSi — CID 152913842

IUPACN-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-2-methylsulfonylacetamide
SMILESCOCc1ccc([C@@H](NC(=O)CS(C)(=O)=O)C(=O)Cc2ccc([Si](C)(C)C)c(F)c2)cc1
InChIInChI=1S/C23H30FNO5SSi/c1-30-14-16-6-9-18(10-7-16)23(25-22(27)15-31(2,28)29)20(26)13-17-8-11-21(19(24)12-17)32(3,4)5/h6-12,23H,13-15H2,1-5H3,(H,25,27)/t23-/m1/s1
InChIKeyUHSOZPFAMZKTHC-HSZRJFAPSA-N
MW479.65 g/mol
LogP2.53
Rot. Bonds10

About N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-2-methylsulfonylacetamide

N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-2-methylsulfonylacetamide (PubChem CID 152913842) has the molecular formula C23H30FNO5SSi and a molecular weight of 479.65 g/mol. Its IUPAC name is N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-2-methylsulfonylacetamide.

Molecular Properties

Compound NameN-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-2-methylsulfonylacetamide
PubChem CID152913842
Molecular FormulaC23H30FNO5SSi
Molecular Weight479.65 g/mol
Exact Mass479.16
IUPAC NameN-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-2-methylsulfonylacetamide
SMILESCOCc1ccc([C@@H](NC(=O)CS(C)(=O)=O)C(=O)Cc2ccc([Si](C)(C)C)c(F)c2)cc1
InChIInChI=1S/C23H30FNO5SSi/c1-30-14-16-6-9-18(10-7-16)23(25-22(27)15-31(2,28)29)20(26)13-17-8-11-21(19(24)12-17)32(3,4)5/h6-12,23H,13-15H2,1-5H3,(H,25,27)/t23-/m1/s1
InChIKeyUHSOZPFAMZKTHC-HSZRJFAPSA-N
XLogP2.53
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.65
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,2-difluoro-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]cyclopropane-1-carboxamide
CID 162055758
N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-2-(oxan-4-yl)acetamide
CID 152977183
N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-2-(4-oxopyridazin-1-yl)acetamide
CID 159500159
(3S)-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-5-oxopyrrolidine-3-carboxamide
CID 149108117
N-(3-fluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[[2-(6-oxopyrimidin-1-yl)acetyl]amino]acetamide
CID 140781164
(3R)-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-3-hydroxypyrrolidine-1-carboxamide
CID 162043493
(4-nitrophenyl) N-[(1R)-2-(3-fluoro-4-trimethylsilylanilino)-1-[4-(methoxymethyl)phenyl]-2-oxoethyl]carbamate
CID 140781462
N-(3-fluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[methyl(prop-2-enyl)amino]acetamide
CID 140781149
N-(2,5-difluoro-4-trimethylsilylphenyl)-2-[(2-indazol-1-ylacetyl)amino]-2-[4-(methoxymethyl)phenyl]acetamide
CID 140781326
(2R)-N-(3,5-difluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)acetyl]amino]acetamide
CID 140781260
N-[3-(3-chloro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-3-oxo-1,2-oxazole-5-carboxamide
CID 159677319
N-(1-amino-3-methoxypropan-2-yl)-2-(3,4-difluorophenyl)acetamide
CID 106180111

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-2-methylsulfonylacetamide?
The IUPAC name of N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-2-methylsulfonylacetamide (CID 152913842) is N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-2-methylsulfonylacetamide.
What is the SMILES notation for N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-2-methylsulfonylacetamide?
The canonical SMILES for N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-2-methylsulfonylacetamide is COCc1ccc([C@@H](NC(=O)CS(C)(=O)=O)C(=O)Cc2ccc([Si](C)(C)C)c(F)c2)cc1.
What is the InChIKey of N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-2-methylsulfonylacetamide?
The InChIKey is UHSOZPFAMZKTHC-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H30FNO5SSi/c1-30-14-16-6-9-18(10-7-16)23(25-22(27)15-31(2,28)29)20(26)13-17-8-11-21(19(24)12-17)32(3,4)5/h6-12,23H,13-15H2,1-5H3,(H,25,27)/t23-/m1/s1.
What are the key properties of N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-2-methylsulfonylacetamide?
N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-2-methylsulfonylacetamide has a molecular weight of 479.65 g/mol, XLogP of 2.53, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-2-methylsulfonylacetamide is sourced from PubChem (CID 152913842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).