2-amino-N-(2-methylsulfonylphenyl)hexanamide

C13H20N2O3S — CID 54928189

IUPAC2-amino-N-(2-methylsulfonylphenyl)hexanamide
SMILESCCCCC(N)C(=O)Nc1ccccc1S(C)(=O)=O
InChIInChI=1S/C13H20N2O3S/c1-3-4-7-10(14)13(16)15-11-8-5-6-9-12(11)19(2,17)18/h5-6,8-10H,3-4,7,14H2,1-2H3,(H,15,16)
InChIKeyXFRHCZHGEATMIV-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.55
Rot. Bonds6

About 2-amino-N-(2-methylsulfonylphenyl)hexanamide

2-amino-N-(2-methylsulfonylphenyl)hexanamide (PubChem CID 54928189) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-amino-N-(2-methylsulfonylphenyl)hexanamide.

Molecular Properties

Compound Name2-amino-N-(2-methylsulfonylphenyl)hexanamide
PubChem CID54928189
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-amino-N-(2-methylsulfonylphenyl)hexanamide
SMILESCCCCC(N)C(=O)Nc1ccccc1S(C)(=O)=O
InChIInChI=1S/C13H20N2O3S/c1-3-4-7-10(14)13(16)15-11-8-5-6-9-12(11)19(2,17)18/h5-6,8-10H,3-4,7,14H2,1-2H3,(H,15,16)
InChIKeyXFRHCZHGEATMIV-UHFFFAOYSA-N
XLogP1.55
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(2-chlorophenyl)hexanamide
CID 103830834
2-amino-N-(2-methylsulfonylphenyl)propanamide
CID 43424873
(2S)-2-amino-N-[2-(ethylsulfamoyl)phenyl]pentanamide
CID 107568567
(2S)-2-amino-N-(2-phenylphenyl)hexanamide
CID 103830910
(2S)-2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)hexanamide
CID 103950240
1-(2-methylsulfonylphenyl)-3-pentylurea
CID 47033227
(2S)-2-amino-N-(2-fluoro-5-methylsulfonylphenyl)hexanamide
CID 107144106
2-amino-N-(2-hydroxy-3-methylphenyl)hexanamide
CID 79596538
3-(2-aminohexanoylamino)-N,2-dimethylbenzamide
CID 60854743
2-amino-N-[2-(2-methylpropoxy)phenyl]hexanamide
CID 60928386
2-(aminomethyl)-3-methyl-N-(2-methylsulfonylphenyl)butanamide
CID 65225020
(2S)-2-amino-N-[2-(tetrazol-1-yl)phenyl]hexanamide
CID 107144063

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methylsulfonylphenyl)hexanamide?
The IUPAC name of 2-amino-N-(2-methylsulfonylphenyl)hexanamide (CID 54928189) is 2-amino-N-(2-methylsulfonylphenyl)hexanamide.
What is the SMILES notation for 2-amino-N-(2-methylsulfonylphenyl)hexanamide?
The canonical SMILES for 2-amino-N-(2-methylsulfonylphenyl)hexanamide is CCCCC(N)C(=O)Nc1ccccc1S(C)(=O)=O.
What is the InChIKey of 2-amino-N-(2-methylsulfonylphenyl)hexanamide?
The InChIKey is XFRHCZHGEATMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-3-4-7-10(14)13(16)15-11-8-5-6-9-12(11)19(2,17)18/h5-6,8-10H,3-4,7,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-N-(2-methylsulfonylphenyl)hexanamide?
2-amino-N-(2-methylsulfonylphenyl)hexanamide has a molecular weight of 284.38 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methylsulfonylphenyl)hexanamide is sourced from PubChem (CID 54928189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).