N-[(2S)-3-methyl-3-(4-methylphenyl)-2-phenylbutyl]methanesulfonamide

C19H25NO2S — CID 132595527

IUPACN-[(2S)-3-methyl-3-(4-methylphenyl)-2-phenylbutyl]methanesulfonamide
SMILESCc1ccc(C(C)(C)[C@@H](CNS(C)(=O)=O)c2ccccc2)cc1
InChIInChI=1S/C19H25NO2S/c1-15-10-12-17(13-11-15)19(2,3)18(14-20-23(4,21)22)16-8-6-5-7-9-16/h5-13,18,20H,14H2,1-4H3/t18-/m0/s1
InChIKeyVJAZOLPCQXEYQV-SFHVURJKSA-N
MW331.48 g/mol
LogP3.61
Rot. Bonds6

About N-[(2S)-3-methyl-3-(4-methylphenyl)-2-phenylbutyl]methanesulfonamide

N-[(2S)-3-methyl-3-(4-methylphenyl)-2-phenylbutyl]methanesulfonamide (PubChem CID 132595527) has the molecular formula C19H25NO2S and a molecular weight of 331.48 g/mol. Its IUPAC name is N-[(2S)-3-methyl-3-(4-methylphenyl)-2-phenylbutyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-3-methyl-3-(4-methylphenyl)-2-phenylbutyl]methanesulfonamide
PubChem CID132595527
Molecular FormulaC19H25NO2S
Molecular Weight331.48 g/mol
Exact Mass331.16
IUPAC NameN-[(2S)-3-methyl-3-(4-methylphenyl)-2-phenylbutyl]methanesulfonamide
SMILESCc1ccc(C(C)(C)[C@@H](CNS(C)(=O)=O)c2ccccc2)cc1
InChIInChI=1S/C19H25NO2S/c1-15-10-12-17(13-11-15)19(2,3)18(14-20-23(4,21)22)16-8-6-5-7-9-16/h5-13,18,20H,14H2,1-4H3/t18-/m0/s1
InChIKeyVJAZOLPCQXEYQV-SFHVURJKSA-N
XLogP3.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(4-methylphenyl)sulfonyl-2-phenylpropyl]methanesulfonamide
CID 15423591
N-(2-phenylpropyl)methanesulfonamide
CID 47121755
N-[2-(4-tert-butylphenyl)-2-phenylethyl]-4-methylbenzenesulfonamide
CID 163217184
N-[(2R)-2-amino-2-phenylethyl]methanesulfonamide
CID 10656269
N-[2-(1H-indol-3-yl)-2-(4-methylphenyl)ethyl]methanesulfonamide
CID 110293010
N-[(2S)-2-hydroxy-2-phenylpropyl]methanesulfonamide
CID 95368033
N-(2-phenyl-2-pyridin-2-ylethyl)methanesulfonamide
CID 16929296
N-(2-chloro-2-phenylethyl)-4-methylbenzenesulfonamide
CID 11220593
4-(methanesulfonamido)-2-phenyl-3-sulfanylbutanoic acid
CID 57308032
4-methyl-N-[2-phenyl-3-(trifluoromethyl)but-3-enyl]benzenesulfonamide
CID 162540052
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-methylbenzenesulfonamide
CID 975376
N-(2-amino-2-phenylethyl)-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119976287

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methyl-3-(4-methylphenyl)-2-phenylbutyl]methanesulfonamide?
The IUPAC name of N-[(2S)-3-methyl-3-(4-methylphenyl)-2-phenylbutyl]methanesulfonamide (CID 132595527) is N-[(2S)-3-methyl-3-(4-methylphenyl)-2-phenylbutyl]methanesulfonamide.
What is the SMILES notation for N-[(2S)-3-methyl-3-(4-methylphenyl)-2-phenylbutyl]methanesulfonamide?
The canonical SMILES for N-[(2S)-3-methyl-3-(4-methylphenyl)-2-phenylbutyl]methanesulfonamide is Cc1ccc(C(C)(C)[C@@H](CNS(C)(=O)=O)c2ccccc2)cc1.
What is the InChIKey of N-[(2S)-3-methyl-3-(4-methylphenyl)-2-phenylbutyl]methanesulfonamide?
The InChIKey is VJAZOLPCQXEYQV-SFHVURJKSA-N. The full InChI is InChI=1S/C19H25NO2S/c1-15-10-12-17(13-11-15)19(2,3)18(14-20-23(4,21)22)16-8-6-5-7-9-16/h5-13,18,20H,14H2,1-4H3/t18-/m0/s1.
What are the key properties of N-[(2S)-3-methyl-3-(4-methylphenyl)-2-phenylbutyl]methanesulfonamide?
N-[(2S)-3-methyl-3-(4-methylphenyl)-2-phenylbutyl]methanesulfonamide has a molecular weight of 331.48 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methyl-3-(4-methylphenyl)-2-phenylbutyl]methanesulfonamide is sourced from PubChem (CID 132595527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).