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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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).