N-[(1R)-1-(4-methoxyphenyl)-1-phenylethyl]-4-methylbenzenesulfonamide

C22H23NO3S — CID 102049077

IUPACN-[(1R)-1-(4-methoxyphenyl)-1-phenylethyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc([C@](C)(NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1
InChIInChI=1S/C22H23NO3S/c1-17-9-15-21(16-10-17)27(24,25)23-22(2,18-7-5-4-6-8-18)19-11-13-20(26-3)14-12-19/h4-16,23H,1-3H3/t22-/m1/s1
InChIKeyRRMQBZMZYFNFEV-JOCHJYFZSA-N
MW381.50 g/mol
LogP4.25
Rot. Bonds6

About N-[(1R)-1-(4-methoxyphenyl)-1-phenylethyl]-4-methylbenzenesulfonamide

N-[(1R)-1-(4-methoxyphenyl)-1-phenylethyl]-4-methylbenzenesulfonamide (PubChem CID 102049077) has the molecular formula C22H23NO3S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[(1R)-1-(4-methoxyphenyl)-1-phenylethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methoxyphenyl)-1-phenylethyl]-4-methylbenzenesulfonamide
PubChem CID102049077
Molecular FormulaC22H23NO3S
Molecular Weight381.50 g/mol
Exact Mass381.14
IUPAC NameN-[(1R)-1-(4-methoxyphenyl)-1-phenylethyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc([C@](C)(NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1
InChIInChI=1S/C22H23NO3S/c1-17-9-15-21(16-10-17)27(24,25)23-22(2,18-7-5-4-6-8-18)19-11-13-20(26-3)14-12-19/h4-16,23H,1-3H3/t22-/m1/s1
InChIKeyRRMQBZMZYFNFEV-JOCHJYFZSA-N
XLogP4.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-(4-methoxyphenyl)-3-methyl-1-oxo-3-phenylbutan-2-yl]-4-methylbenzenesulfonamide
CID 132583319
4-methyl-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)benzenesulfonamide
CID 75458388
N-[2-(2-fluorophenyl)propan-2-yl]-4-methoxybenzenesulfonamide
CID 110445897
N-[(1R)-1-(1-benzylindol-3-yl)-1-phenylethyl]-4-methylbenzenesulfonamide
CID 139148652
N-[(1S,2R)-2-amino-1-chloro-1,2-diphenylethyl]-4-methoxybenzenesulfonamide
CID 70148428
4-methyl-N-[2-(4-methylphenyl)-1-oxopropan-2-yl]benzenesulfonamide
CID 101403953
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
N-[(1S)-1-hydroxy-1-phenylpropyl]-4-methylbenzenesulfonamide
CID 21032380
methane;1-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]-4-methylbenzene
CID 161249508
4-methoxy-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1398612
4-methyl-N-(1-nitro-2-phenylpropan-2-yl)benzenesulfonamide
CID 135011413
N-tert-butyl-4-methylbenzenesulfonamide;ethane
CID 143460137

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methoxyphenyl)-1-phenylethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(1R)-1-(4-methoxyphenyl)-1-phenylethyl]-4-methylbenzenesulfonamide (CID 102049077) is N-[(1R)-1-(4-methoxyphenyl)-1-phenylethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1R)-1-(4-methoxyphenyl)-1-phenylethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(1R)-1-(4-methoxyphenyl)-1-phenylethyl]-4-methylbenzenesulfonamide is COc1ccc([C@](C)(NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1.
What is the InChIKey of N-[(1R)-1-(4-methoxyphenyl)-1-phenylethyl]-4-methylbenzenesulfonamide?
The InChIKey is RRMQBZMZYFNFEV-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H23NO3S/c1-17-9-15-21(16-10-17)27(24,25)23-22(2,18-7-5-4-6-8-18)19-11-13-20(26-3)14-12-19/h4-16,23H,1-3H3/t22-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methoxyphenyl)-1-phenylethyl]-4-methylbenzenesulfonamide?
N-[(1R)-1-(4-methoxyphenyl)-1-phenylethyl]-4-methylbenzenesulfonamide has a molecular weight of 381.50 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methoxyphenyl)-1-phenylethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 102049077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).