N-[(R)-[(2S)-3-[dimethyl(phenyl)silyl]-2-ethyl-5-oxofuran-2-yl]-phenylmethyl]-4-methylbenzenesulfonamide

C28H31NO4SSi — CID 102419020

IUPACN-[(R)-[(2S)-3-[dimethyl(phenyl)silyl]-2-ethyl-5-oxofuran-2-yl]-phenylmethyl]-4-methylbenzenesulfonamide
SMILESCC[C@@]1([C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)OC(=O)C=C1[Si](C)(C)c1ccccc1
InChIInChI=1S/C28H31NO4SSi/c1-5-28(25(20-26(30)33-28)35(3,4)24-14-10-7-11-15-24)27(22-12-8-6-9-13-22)29-34(31,32)23-18-16-21(2)17-19-23/h6-20,27,29H,5H2,1-4H3/t27-,28-/m1/s1
InChIKeyHUGJGXUVCZNXHH-VSGBNLITSA-N
MW505.71 g/mol
LogP4.80
Rot. Bonds8

About N-[(R)-[(2S)-3-[dimethyl(phenyl)silyl]-2-ethyl-5-oxofuran-2-yl]-phenylmethyl]-4-methylbenzenesulfonamide

N-[(R)-[(2S)-3-[dimethyl(phenyl)silyl]-2-ethyl-5-oxofuran-2-yl]-phenylmethyl]-4-methylbenzenesulfonamide (PubChem CID 102419020) has the molecular formula C28H31NO4SSi and a molecular weight of 505.71 g/mol. Its IUPAC name is N-[(R)-[(2S)-3-[dimethyl(phenyl)silyl]-2-ethyl-5-oxofuran-2-yl]-phenylmethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(R)-[(2S)-3-[dimethyl(phenyl)silyl]-2-ethyl-5-oxofuran-2-yl]-phenylmethyl]-4-methylbenzenesulfonamide
PubChem CID102419020
Molecular FormulaC28H31NO4SSi
Molecular Weight505.71 g/mol
Exact Mass505.17
IUPAC NameN-[(R)-[(2S)-3-[dimethyl(phenyl)silyl]-2-ethyl-5-oxofuran-2-yl]-phenylmethyl]-4-methylbenzenesulfonamide
SMILESCC[C@@]1([C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)OC(=O)C=C1[Si](C)(C)c1ccccc1
InChIInChI=1S/C28H31NO4SSi/c1-5-28(25(20-26(30)33-28)35(3,4)24-14-10-7-11-15-24)27(22-12-8-6-9-13-22)29-34(31,32)23-18-16-21(2)17-19-23/h6-20,27,29H,5H2,1-4H3/t27-,28-/m1/s1
InChIKeyHUGJGXUVCZNXHH-VSGBNLITSA-N
XLogP4.80
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.71
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(R)-[dimethyl(phenyl)silyl]-phenylmethyl]-4-methylbenzenesulfonamide
CID 132990503
N-[1-[dimethyl(phenyl)silyl]propyl]-4-methylbenzenesulfonamide
CID 164685920
N-[(1R,2S)-1-methoxy-1-phenylbutan-2-yl]-4-methylbenzenesulfonamide
CID 57408242
N-(2-amino-1-phenylethyl)-4-methylbenzenesulfonamide
CID 18003405
N-[(1S)-2,2-dimethoxy-1-phenylethyl]-4-methylbenzenesulfonamide
CID 101203373
ethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate
CID 67891408
N-[(S)-(4-bromophenyl)-[(4R)-5-oxo-2-phenyl-4-propan-2-yl-1,3-oxazol-4-yl]methyl]-4-methylbenzenesulfonamide
CID 139037997
4-methyl-N-(3-oxo-1-phenylpropyl)benzenesulfonamide
CID 16743861
N-(3-chloro-1-phenylpropyl)-4-methylbenzenesulfonamide
CID 4961653
4-methyl-N-[(1S,2S)-2-nitro-1-phenylpropyl]benzenesulfonamide
CID 71425019
N-(3-chloro-1-phenylbut-3-enyl)-4-methylbenzenesulfonamide
CID 101424945
4-methyl-N-[1-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]benzenesulfonamide
CID 102133707

Frequently Asked Questions

What is the IUPAC name of N-[(R)-[(2S)-3-[dimethyl(phenyl)silyl]-2-ethyl-5-oxofuran-2-yl]-phenylmethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(R)-[(2S)-3-[dimethyl(phenyl)silyl]-2-ethyl-5-oxofuran-2-yl]-phenylmethyl]-4-methylbenzenesulfonamide (CID 102419020) is N-[(R)-[(2S)-3-[dimethyl(phenyl)silyl]-2-ethyl-5-oxofuran-2-yl]-phenylmethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(R)-[(2S)-3-[dimethyl(phenyl)silyl]-2-ethyl-5-oxofuran-2-yl]-phenylmethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(R)-[(2S)-3-[dimethyl(phenyl)silyl]-2-ethyl-5-oxofuran-2-yl]-phenylmethyl]-4-methylbenzenesulfonamide is CC[C@@]1([C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)OC(=O)C=C1[Si](C)(C)c1ccccc1.
What is the InChIKey of N-[(R)-[(2S)-3-[dimethyl(phenyl)silyl]-2-ethyl-5-oxofuran-2-yl]-phenylmethyl]-4-methylbenzenesulfonamide?
The InChIKey is HUGJGXUVCZNXHH-VSGBNLITSA-N. The full InChI is InChI=1S/C28H31NO4SSi/c1-5-28(25(20-26(30)33-28)35(3,4)24-14-10-7-11-15-24)27(22-12-8-6-9-13-22)29-34(31,32)23-18-16-21(2)17-19-23/h6-20,27,29H,5H2,1-4H3/t27-,28-/m1/s1.
What are the key properties of N-[(R)-[(2S)-3-[dimethyl(phenyl)silyl]-2-ethyl-5-oxofuran-2-yl]-phenylmethyl]-4-methylbenzenesulfonamide?
N-[(R)-[(2S)-3-[dimethyl(phenyl)silyl]-2-ethyl-5-oxofuran-2-yl]-phenylmethyl]-4-methylbenzenesulfonamide has a molecular weight of 505.71 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-[(2S)-3-[dimethyl(phenyl)silyl]-2-ethyl-5-oxofuran-2-yl]-phenylmethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 102419020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).