4-methyl-N-[(2R)-1-oxo-1-phenylpropan-2-yl]-N-phenylbenzenesulfonamide

C22H21NO3S — CID 92534233

IUPAC4-methyl-N-[(2R)-1-oxo-1-phenylpropan-2-yl]-N-phenylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(c2ccccc2)[C@H](C)C(=O)c2ccccc2)cc1
InChIInChI=1S/C22H21NO3S/c1-17-13-15-21(16-14-17)27(25,26)23(20-11-7-4-8-12-20)18(2)22(24)19-9-5-3-6-10-19/h3-16,18H,1-2H3/t18-/m1/s1
InChIKeyRPPKTYNSIJSGIM-GOSISDBHSA-N
MW379.48 g/mol
LogP4.46
Rot. Bonds6

About 4-methyl-N-[(2R)-1-oxo-1-phenylpropan-2-yl]-N-phenylbenzenesulfonamide

4-methyl-N-[(2R)-1-oxo-1-phenylpropan-2-yl]-N-phenylbenzenesulfonamide (PubChem CID 92534233) has the molecular formula C22H21NO3S and a molecular weight of 379.48 g/mol. Its IUPAC name is 4-methyl-N-[(2R)-1-oxo-1-phenylpropan-2-yl]-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(2R)-1-oxo-1-phenylpropan-2-yl]-N-phenylbenzenesulfonamide
PubChem CID92534233
Molecular FormulaC22H21NO3S
Molecular Weight379.48 g/mol
Exact Mass379.12
IUPAC Name4-methyl-N-[(2R)-1-oxo-1-phenylpropan-2-yl]-N-phenylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(c2ccccc2)[C@H](C)C(=O)c2ccccc2)cc1
InChIInChI=1S/C22H21NO3S/c1-17-13-15-21(16-14-17)27(25,26)23(20-11-7-4-8-12-20)18(2)22(24)19-9-5-3-6-10-19/h3-16,18H,1-2H3/t18-/m1/s1
InChIKeyRPPKTYNSIJSGIM-GOSISDBHSA-N
XLogP4.46
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (2S)-2-(N-(4-methylphenyl)sulfonylanilino)propanoate
CID 142742404
2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)propanoic acid
CID 50891410
2-(N-(4-bromophenyl)sulfonylanilino)propanoic acid
CID 50889552
2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)propanoic acid
CID 50891983
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-[methyl(phenyl)sulfamoyl]benzoate
CID 2598698
N-[1-(4-methoxyphenyl)ethyl]-4-methyl-N-phenylbenzenesulfonamide
CID 42841654
2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)propanoic acid
CID 50892780
2-(N-(4-bromophenyl)sulfonylanilino)propanoyl chloride
CID 50889560
2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)propanoyl chloride
CID 50891411
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2587922
2-(N-(4-acetamidophenyl)sulfonylanilino)propanoic acid
CID 50889074
2-(N-(4-methylphenyl)sulfonyl-4-propoxyanilino)propanoic acid
CID 50895151

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2R)-1-oxo-1-phenylpropan-2-yl]-N-phenylbenzenesulfonamide?
The IUPAC name of 4-methyl-N-[(2R)-1-oxo-1-phenylpropan-2-yl]-N-phenylbenzenesulfonamide (CID 92534233) is 4-methyl-N-[(2R)-1-oxo-1-phenylpropan-2-yl]-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(2R)-1-oxo-1-phenylpropan-2-yl]-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(2R)-1-oxo-1-phenylpropan-2-yl]-N-phenylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(c2ccccc2)[C@H](C)C(=O)c2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-[(2R)-1-oxo-1-phenylpropan-2-yl]-N-phenylbenzenesulfonamide?
The InChIKey is RPPKTYNSIJSGIM-GOSISDBHSA-N. The full InChI is InChI=1S/C22H21NO3S/c1-17-13-15-21(16-14-17)27(25,26)23(20-11-7-4-8-12-20)18(2)22(24)19-9-5-3-6-10-19/h3-16,18H,1-2H3/t18-/m1/s1.
What are the key properties of 4-methyl-N-[(2R)-1-oxo-1-phenylpropan-2-yl]-N-phenylbenzenesulfonamide?
4-methyl-N-[(2R)-1-oxo-1-phenylpropan-2-yl]-N-phenylbenzenesulfonamide has a molecular weight of 379.48 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2R)-1-oxo-1-phenylpropan-2-yl]-N-phenylbenzenesulfonamide is sourced from PubChem (CID 92534233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).