(2R)-2-methyl-N-[(4-methyl-3-methylsulfonylphenyl)methyl]hexanamide

C16H25NO3S — CID 100728748

IUPAC(2R)-2-methyl-N-[(4-methyl-3-methylsulfonylphenyl)methyl]hexanamide
SMILESCCCC[C@@H](C)C(=O)NCc1ccc(C)c(S(C)(=O)=O)c1
InChIInChI=1S/C16H25NO3S/c1-5-6-7-13(3)16(18)17-11-14-9-8-12(2)15(10-14)21(4,19)20/h8-10,13H,5-7,11H2,1-4H3,(H,17,18)/t13-/m1/s1
InChIKeyJLHPQTNZFUJBGV-CYBMUJFWSA-N
MW311.45 g/mol
LogP2.84
Rot. Bonds7

About (2R)-2-methyl-N-[(4-methyl-3-methylsulfonylphenyl)methyl]hexanamide

(2R)-2-methyl-N-[(4-methyl-3-methylsulfonylphenyl)methyl]hexanamide (PubChem CID 100728748) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is (2R)-2-methyl-N-[(4-methyl-3-methylsulfonylphenyl)methyl]hexanamide.

Molecular Properties

Compound Name(2R)-2-methyl-N-[(4-methyl-3-methylsulfonylphenyl)methyl]hexanamide
PubChem CID100728748
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name(2R)-2-methyl-N-[(4-methyl-3-methylsulfonylphenyl)methyl]hexanamide
SMILESCCCC[C@@H](C)C(=O)NCc1ccc(C)c(S(C)(=O)=O)c1
InChIInChI=1S/C16H25NO3S/c1-5-6-7-13(3)16(18)17-11-14-9-8-12(2)15(10-14)21(4,19)20/h8-10,13H,5-7,11H2,1-4H3,(H,17,18)/t13-/m1/s1
InChIKeyJLHPQTNZFUJBGV-CYBMUJFWSA-N
XLogP2.84
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methoxyphenyl)methyl]-2-methylhexanamide
CID 163830422
6-amino-N-[(3-fluoro-4-methylphenyl)methyl]-2-methylheptanamide
CID 65292863
2-methyl-3-(4-methyl-3-methylsulfonylphenyl)propanoic acid
CID 117394356
2-methyl-N-[(4-methylsulfonylphenyl)methyl]butanamide
CID 47191115
2-methyl-N-[[4-(2-methyl-1-methylsulfanylprop-1-enyl)phenyl]methyl]hexanamide
CID 176695844
4-amino-2-methyl-N-[(4-methylsulfonylphenyl)methyl]butanamide
CID 80543738
2-methyl-N-[[3-[[(4-methylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]pentanamide
CID 23876903
N-[(4-aminophenyl)methyl]-2-methylpentanamide
CID 60891259
5-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]pentanamide
CID 104684174
N-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119697509
2-methyl-N-[[3-[(2-phenylethylcarbamoylamino)methyl]phenyl]methyl]pentanamide
CID 23903259
(2S)-2-[(5-bromo-2-methylphenyl)sulfonylamino]hexanoic acid
CID 104934720

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-N-[(4-methyl-3-methylsulfonylphenyl)methyl]hexanamide?
The IUPAC name of (2R)-2-methyl-N-[(4-methyl-3-methylsulfonylphenyl)methyl]hexanamide (CID 100728748) is (2R)-2-methyl-N-[(4-methyl-3-methylsulfonylphenyl)methyl]hexanamide.
What is the SMILES notation for (2R)-2-methyl-N-[(4-methyl-3-methylsulfonylphenyl)methyl]hexanamide?
The canonical SMILES for (2R)-2-methyl-N-[(4-methyl-3-methylsulfonylphenyl)methyl]hexanamide is CCCC[C@@H](C)C(=O)NCc1ccc(C)c(S(C)(=O)=O)c1.
What is the InChIKey of (2R)-2-methyl-N-[(4-methyl-3-methylsulfonylphenyl)methyl]hexanamide?
The InChIKey is JLHPQTNZFUJBGV-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-5-6-7-13(3)16(18)17-11-14-9-8-12(2)15(10-14)21(4,19)20/h8-10,13H,5-7,11H2,1-4H3,(H,17,18)/t13-/m1/s1.
What are the key properties of (2R)-2-methyl-N-[(4-methyl-3-methylsulfonylphenyl)methyl]hexanamide?
(2R)-2-methyl-N-[(4-methyl-3-methylsulfonylphenyl)methyl]hexanamide has a molecular weight of 311.45 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-N-[(4-methyl-3-methylsulfonylphenyl)methyl]hexanamide is sourced from PubChem (CID 100728748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).