4-methyl-N-[(1S,2R)-1-phenyl-2-phenylsulfanyl-2-trimethylsilylethyl]benzenesulfonamide

C24H29NO2S2Si — CID 102373680

IUPAC4-methyl-N-[(1S,2R)-1-phenyl-2-phenylsulfanyl-2-trimethylsilylethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)[C@@H](Sc2ccccc2)[Si](C)(C)C)cc1
InChIInChI=1S/C24H29NO2S2Si/c1-19-15-17-22(18-16-19)29(26,27)25-23(20-11-7-5-8-12-20)24(30(2,3)4)28-21-13-9-6-10-14-21/h5-18,23-25H,1-4H3/t23-,24-/m0/s1
InChIKeyJVIHWZDIPKWEEQ-ZEQRLZLVSA-N
MW455.72 g/mol
LogP6.05
Rot. Bonds8

About 4-methyl-N-[(1S,2R)-1-phenyl-2-phenylsulfanyl-2-trimethylsilylethyl]benzenesulfonamide

4-methyl-N-[(1S,2R)-1-phenyl-2-phenylsulfanyl-2-trimethylsilylethyl]benzenesulfonamide (PubChem CID 102373680) has the molecular formula C24H29NO2S2Si and a molecular weight of 455.72 g/mol. Its IUPAC name is 4-methyl-N-[(1S,2R)-1-phenyl-2-phenylsulfanyl-2-trimethylsilylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(1S,2R)-1-phenyl-2-phenylsulfanyl-2-trimethylsilylethyl]benzenesulfonamide
PubChem CID102373680
Molecular FormulaC24H29NO2S2Si
Molecular Weight455.72 g/mol
Exact Mass455.14
IUPAC Name4-methyl-N-[(1S,2R)-1-phenyl-2-phenylsulfanyl-2-trimethylsilylethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)[C@@H](Sc2ccccc2)[Si](C)(C)C)cc1
InChIInChI=1S/C24H29NO2S2Si/c1-19-15-17-22(18-16-19)29(26,27)25-23(20-11-7-5-8-12-20)24(30(2,3)4)28-21-13-9-6-10-14-21/h5-18,23-25H,1-4H3/t23-,24-/m0/s1
InChIKeyJVIHWZDIPKWEEQ-ZEQRLZLVSA-N
XLogP6.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.72
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[(1R,2S)-1-phenyl-2-phenylsulfanyl-2-trimethylsilylethyl]benzenesulfonamide
CID 101091316
4-methyl-N-[(1R,2S)-2-methylsulfanyl-1,2-diphenylethyl]benzenesulfonamide
CID 10971332
N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-4-methylbenzenesulfonamide
CID 101415402
N-[(1R,2S)-2-amino-1,2-diphenylethyl]-4-methylbenzenesulfonamide;hydrochloride
CID 45357622
N-(2-amino-1,2-diphenylethyl)-4-methylbenzenesulfonamide;hydrochloride
CID 75110683
N-[(1S)-2,2-dimethoxy-1-phenylethyl]-4-methylbenzenesulfonamide
CID 101203373
4-methyl-N-(1-phenyl-4-phenylsulfanylpentyl)benzenesulfonamide
CID 152503716
(2R,3S)-2-methyl-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 10991221
4-methyl-N-[(1S,2S)-2-nitro-1-phenylpropyl]benzenesulfonamide
CID 71425019
4-methyl-N-[(3R,4S)-2-methyl-4-phenylsulfanylpentan-3-yl]benzenesulfonamide
CID 134832138
4-methyl-N-[(2R,3S)-1,1,1-trifluoro-3-phenylsulfanylbutan-2-yl]benzenesulfonamide
CID 135029593
N-[(1S,2S)-2-formyl-1-phenylpentyl]-4-methylbenzenesulfonamide
CID 102510095

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1S,2R)-1-phenyl-2-phenylsulfanyl-2-trimethylsilylethyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(1S,2R)-1-phenyl-2-phenylsulfanyl-2-trimethylsilylethyl]benzenesulfonamide (CID 102373680) is 4-methyl-N-[(1S,2R)-1-phenyl-2-phenylsulfanyl-2-trimethylsilylethyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(1S,2R)-1-phenyl-2-phenylsulfanyl-2-trimethylsilylethyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(1S,2R)-1-phenyl-2-phenylsulfanyl-2-trimethylsilylethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)[C@@H](Sc2ccccc2)[Si](C)(C)C)cc1.
What is the InChIKey of 4-methyl-N-[(1S,2R)-1-phenyl-2-phenylsulfanyl-2-trimethylsilylethyl]benzenesulfonamide?
The InChIKey is JVIHWZDIPKWEEQ-ZEQRLZLVSA-N. The full InChI is InChI=1S/C24H29NO2S2Si/c1-19-15-17-22(18-16-19)29(26,27)25-23(20-11-7-5-8-12-20)24(30(2,3)4)28-21-13-9-6-10-14-21/h5-18,23-25H,1-4H3/t23-,24-/m0/s1.
What are the key properties of 4-methyl-N-[(1S,2R)-1-phenyl-2-phenylsulfanyl-2-trimethylsilylethyl]benzenesulfonamide?
4-methyl-N-[(1S,2R)-1-phenyl-2-phenylsulfanyl-2-trimethylsilylethyl]benzenesulfonamide has a molecular weight of 455.72 g/mol, XLogP of 6.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1S,2R)-1-phenyl-2-phenylsulfanyl-2-trimethylsilylethyl]benzenesulfonamide is sourced from PubChem (CID 102373680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).