4-methyl-N-[(2S)-1-phenyl-3-phenylselanylpropan-2-yl]benzenesulfonamide

C22H23NO2SSe — CID 50993309

IUPAC4-methyl-N-[(2S)-1-phenyl-3-phenylselanylpropan-2-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](C[Se]c2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C22H23NO2SSe/c1-18-12-14-21(15-13-18)26(24,25)23-20(16-19-8-4-2-5-9-19)17-27-22-10-6-3-7-11-22/h2-15,20,23H,16-17H2,1H3/t20-/m0/s1
InChIKeyVYSXQGHVFROYQL-FQEVSTJZSA-N
MW444.46 g/mol
LogP3.33
Rot. Bonds8

About 4-methyl-N-[(2S)-1-phenyl-3-phenylselanylpropan-2-yl]benzenesulfonamide

4-methyl-N-[(2S)-1-phenyl-3-phenylselanylpropan-2-yl]benzenesulfonamide (PubChem CID 50993309) has the molecular formula C22H23NO2SSe and a molecular weight of 444.46 g/mol. Its IUPAC name is 4-methyl-N-[(2S)-1-phenyl-3-phenylselanylpropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(2S)-1-phenyl-3-phenylselanylpropan-2-yl]benzenesulfonamide
PubChem CID50993309
Molecular FormulaC22H23NO2SSe
Molecular Weight444.46 g/mol
Exact Mass445.06
IUPAC Name4-methyl-N-[(2S)-1-phenyl-3-phenylselanylpropan-2-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](C[Se]c2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C22H23NO2SSe/c1-18-12-14-21(15-13-18)26(24,25)23-20(16-19-8-4-2-5-9-19)17-27-22-10-6-3-7-11-22/h2-15,20,23H,16-17H2,1H3/t20-/m0/s1
InChIKeyVYSXQGHVFROYQL-FQEVSTJZSA-N
XLogP3.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.46
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methyl-N-[(2S)-1-phenyl-3-phenylselanylpropan-2-yl]benzenesulfonamide 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

N-(1-hydroxy-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide
CID 5155581
N-[(2R)-1-chloro-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide
CID 102467096
4-methyl-N-[(2S)-1-phenylpentan-2-yl]benzenesulfonamide
CID 45102181
N-[(2S)-1-(2,6-dibromophenyl)-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide
CID 165342128
4-methyl-N-[(2S)-1-phenylpent-4-en-2-yl]benzenesulfonamide
CID 45102183
4-methyl-N-[(2S)-1-phenyl-3-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 93004561
[(2R)-1,1-dideuterio-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropyl] 4-methylbenzenesulfonate
CID 131668400
4-methyl-N-[(2R,4S)-4-methyl-5-oxo-1-phenylheptan-2-yl]benzenesulfonamide
CID 10809381
4-methyl-N-[(2S)-1,1,1-trideuterio-3-phenylpropan-2-yl]benzenesulfonamide
CID 71752636
2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl fluoride
CID 175585401
2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 3690831
N-[(2S)-4-[2-(hydroxymethyl)phenoxy]-1-phenylbutan-2-yl]-4-methylbenzenesulfonamide
CID 102167974

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2S)-1-phenyl-3-phenylselanylpropan-2-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(2S)-1-phenyl-3-phenylselanylpropan-2-yl]benzenesulfonamide (CID 50993309) is 4-methyl-N-[(2S)-1-phenyl-3-phenylselanylpropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(2S)-1-phenyl-3-phenylselanylpropan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(2S)-1-phenyl-3-phenylselanylpropan-2-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@H](C[Se]c2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-[(2S)-1-phenyl-3-phenylselanylpropan-2-yl]benzenesulfonamide?
The InChIKey is VYSXQGHVFROYQL-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H23NO2SSe/c1-18-12-14-21(15-13-18)26(24,25)23-20(16-19-8-4-2-5-9-19)17-27-22-10-6-3-7-11-22/h2-15,20,23H,16-17H2,1H3/t20-/m0/s1.
What are the key properties of 4-methyl-N-[(2S)-1-phenyl-3-phenylselanylpropan-2-yl]benzenesulfonamide?
4-methyl-N-[(2S)-1-phenyl-3-phenylselanylpropan-2-yl]benzenesulfonamide has a molecular weight of 444.46 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2S)-1-phenyl-3-phenylselanylpropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 50993309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).