4-(methylamino)-N-(2-methyl-5-methylsulfonylphenyl)butanamide

C13H20N2O3S — CID 60843473

IUPAC4-(methylamino)-N-(2-methyl-5-methylsulfonylphenyl)butanamide
SMILESCNCCCC(=O)Nc1cc(S(C)(=O)=O)ccc1C
InChIInChI=1S/C13H20N2O3S/c1-10-6-7-11(19(3,17)18)9-12(10)15-13(16)5-4-8-14-2/h6-7,9,14H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyUHJHEVFSHCBAOI-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.34
Rot. Bonds6

About 4-(methylamino)-N-(2-methyl-5-methylsulfonylphenyl)butanamide

4-(methylamino)-N-(2-methyl-5-methylsulfonylphenyl)butanamide (PubChem CID 60843473) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-(methylamino)-N-(2-methyl-5-methylsulfonylphenyl)butanamide.

Molecular Properties

Compound Name4-(methylamino)-N-(2-methyl-5-methylsulfonylphenyl)butanamide
PubChem CID60843473
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name4-(methylamino)-N-(2-methyl-5-methylsulfonylphenyl)butanamide
SMILESCNCCCC(=O)Nc1cc(S(C)(=O)=O)ccc1C
InChIInChI=1S/C13H20N2O3S/c1-10-6-7-11(19(3,17)18)9-12(10)15-13(16)5-4-8-14-2/h6-7,9,14H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyUHJHEVFSHCBAOI-UHFFFAOYSA-N
XLogP1.34
TPSA75.27 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 ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(methylamino)-N-[2-methyl-5-(methylsulfamoyl)phenyl]butanamide
CID 60841151
5-chloro-N-(2-methyl-5-methylsulfonylphenyl)pentanamide
CID 43346625
N-(2,5-dimethylphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119669251
4-cyclohexyl-N-(2-methyl-5-methylsulfonylphenyl)butanamide
CID 33002263
N-(5-chloro-2-methylphenyl)-4-(methylamino)butanamide
CID 60841323
4-(methylamino)-N-(2-methylphenyl)butanamide;hydrochloride
CID 119670453
N-(2-methyl-5-methylsulfonylphenyl)-2-(4-methylphenoxy)acetamide
CID 34193972
N-(2-hydroxy-5-methylsulfonylphenyl)-4-(propan-2-ylamino)butanamide
CID 81422923
2-(1-aminocyclobutyl)-N-(2-methyl-5-methylsulfonylphenyl)acetamide
CID 79851670
2-(1-aminocyclopentyl)-N-(2-methyl-5-methylsulfonylphenyl)acetamide
CID 64685014
N-(2-methyl-5-methylsulfonylphenyl)-3,3-diphenylpropanamide
CID 27990757
5-bromo-N-(2-methyl-5-sulfamoylphenyl)pentanamide
CID 107908940

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(2-methyl-5-methylsulfonylphenyl)butanamide?
The IUPAC name of 4-(methylamino)-N-(2-methyl-5-methylsulfonylphenyl)butanamide (CID 60843473) is 4-(methylamino)-N-(2-methyl-5-methylsulfonylphenyl)butanamide.
What is the SMILES notation for 4-(methylamino)-N-(2-methyl-5-methylsulfonylphenyl)butanamide?
The canonical SMILES for 4-(methylamino)-N-(2-methyl-5-methylsulfonylphenyl)butanamide is CNCCCC(=O)Nc1cc(S(C)(=O)=O)ccc1C.
What is the InChIKey of 4-(methylamino)-N-(2-methyl-5-methylsulfonylphenyl)butanamide?
The InChIKey is UHJHEVFSHCBAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10-6-7-11(19(3,17)18)9-12(10)15-13(16)5-4-8-14-2/h6-7,9,14H,4-5,8H2,1-3H3,(H,15,16).
What are the key properties of 4-(methylamino)-N-(2-methyl-5-methylsulfonylphenyl)butanamide?
4-(methylamino)-N-(2-methyl-5-methylsulfonylphenyl)butanamide has a molecular weight of 284.38 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(2-methyl-5-methylsulfonylphenyl)butanamide is sourced from PubChem (CID 60843473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).