4-methyl-N-[(2S)-2-(2-methylphenoxy)-2-phenylethyl]benzenesulfonamide

C22H23NO3S — CID 57408238

IUPAC4-methyl-N-[(2S)-2-(2-methylphenoxy)-2-phenylethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@@H](Oc2ccccc2C)c2ccccc2)cc1
InChIInChI=1S/C22H23NO3S/c1-17-12-14-20(15-13-17)27(24,25)23-16-22(19-9-4-3-5-10-19)26-21-11-7-6-8-18(21)2/h3-15,22-23H,16H2,1-2H3/t22-/m1/s1
InChIKeyJMYBFAYICHKCCD-JOCHJYFZSA-N
MW381.50 g/mol
LogP4.40
Rot. Bonds7

About 4-methyl-N-[(2S)-2-(2-methylphenoxy)-2-phenylethyl]benzenesulfonamide

4-methyl-N-[(2S)-2-(2-methylphenoxy)-2-phenylethyl]benzenesulfonamide (PubChem CID 57408238) has the molecular formula C22H23NO3S and a molecular weight of 381.50 g/mol. Its IUPAC name is 4-methyl-N-[(2S)-2-(2-methylphenoxy)-2-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(2S)-2-(2-methylphenoxy)-2-phenylethyl]benzenesulfonamide
PubChem CID57408238
Molecular FormulaC22H23NO3S
Molecular Weight381.50 g/mol
Exact Mass381.14
IUPAC Name4-methyl-N-[(2S)-2-(2-methylphenoxy)-2-phenylethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@@H](Oc2ccccc2C)c2ccccc2)cc1
InChIInChI=1S/C22H23NO3S/c1-17-12-14-20(15-13-17)27(24,25)23-16-22(19-9-4-3-5-10-19)26-21-11-7-6-8-18(21)2/h3-15,22-23H,16H2,1-2H3/t22-/m1/s1
InChIKeyJMYBFAYICHKCCD-JOCHJYFZSA-N
XLogP4.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methoxy-2-(2-methylphenyl)ethyl]-4-methylbenzenesulfonamide
CID 90598840
N-(2-chloro-2-phenylethyl)-4-methylbenzenesulfonamide
CID 11220593
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-methylbenzenesulfonamide
CID 975376
4-methyl-N-(2-phenyl-2-phenylselanylethyl)benzenesulfonamide
CID 86197769
N-[2-methoxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 12032651
N-[2-(4-tert-butylphenyl)-2-phenylethyl]-4-methylbenzenesulfonamide
CID 163217184
N-[2-(4-chlorophenyl)-2-methoxyethyl]-4-methylbenzenesulfonamide
CID 134843251
N-[2-(4-methylsulfanylphenoxy)-2-phenylethyl]benzenesulfonamide
CID 21178346
4-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide
CID 2784014
4-methyl-N-[2-phenyl-3-(trifluoromethyl)but-3-enyl]benzenesulfonamide
CID 162540052
N-[(2S)-2-(4-tert-butylphenyl)-2-ethoxyethyl]-4-methylbenzenesulfonamide
CID 139204992
4-methyl-N-[3-(4-nitrophenoxy)-3-phenylpropyl]benzenesulfonamide
CID 25139826

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2S)-2-(2-methylphenoxy)-2-phenylethyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(2S)-2-(2-methylphenoxy)-2-phenylethyl]benzenesulfonamide (CID 57408238) is 4-methyl-N-[(2S)-2-(2-methylphenoxy)-2-phenylethyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(2S)-2-(2-methylphenoxy)-2-phenylethyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(2S)-2-(2-methylphenoxy)-2-phenylethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NC[C@@H](Oc2ccccc2C)c2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-[(2S)-2-(2-methylphenoxy)-2-phenylethyl]benzenesulfonamide?
The InChIKey is JMYBFAYICHKCCD-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H23NO3S/c1-17-12-14-20(15-13-17)27(24,25)23-16-22(19-9-4-3-5-10-19)26-21-11-7-6-8-18(21)2/h3-15,22-23H,16H2,1-2H3/t22-/m1/s1.
What are the key properties of 4-methyl-N-[(2S)-2-(2-methylphenoxy)-2-phenylethyl]benzenesulfonamide?
4-methyl-N-[(2S)-2-(2-methylphenoxy)-2-phenylethyl]benzenesulfonamide has a molecular weight of 381.50 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2S)-2-(2-methylphenoxy)-2-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 57408238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).