2-ethyl-N-(3-methylsulfonylphenyl)butanamide

C13H19NO3S — CID 47118406

IUPAC2-ethyl-N-(3-methylsulfonylphenyl)butanamide
SMILESCCC(CC)C(=O)Nc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C13H19NO3S/c1-4-10(5-2)13(15)14-11-7-6-8-12(9-11)18(3,16)17/h6-10H,4-5H2,1-3H3,(H,14,15)
InChIKeyWJHALOXLUZSVCU-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.46
Rot. Bonds5

About 2-ethyl-N-(3-methylsulfonylphenyl)butanamide

2-ethyl-N-(3-methylsulfonylphenyl)butanamide (PubChem CID 47118406) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-ethyl-N-(3-methylsulfonylphenyl)butanamide.

Molecular Properties

Compound Name2-ethyl-N-(3-methylsulfonylphenyl)butanamide
PubChem CID47118406
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name2-ethyl-N-(3-methylsulfonylphenyl)butanamide
SMILESCCC(CC)C(=O)Nc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C13H19NO3S/c1-4-10(5-2)13(15)14-11-7-6-8-12(9-11)18(3,16)17/h6-10H,4-5H2,1-3H3,(H,14,15)
InChIKeyWJHALOXLUZSVCU-UHFFFAOYSA-N
XLogP2.46
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 21430939
(3-methylsulfonylphenyl)carbamothioic S-acid
CID 87640544
(2R)-N-(3-methylsulfonylphenyl)-2-phenylpentanamide
CID 9071410
N-(3-methylsulfonylphenyl)butanamide
CID 37391541
4-amino-5-(3-methylsulfonylanilino)-5-oxopentanoic acid
CID 64888717
3-(aminomethyl)-N-(3-methylsulfonylphenyl)pentanamide
CID 81075821
2-(ethylamino)-N-(3-methylsulfonylphenyl)acetamide
CID 60673121
2-bromo-N-[3-(diethylsulfamoyl)phenyl]butanamide
CID 62856650
2-[methyl(pentan-2-yl)amino]-N-(3-methylsulfonylphenyl)acetamide
CID 42959271
N-(3-benzoylphenyl)-2-ethylbutanamide
CID 974891
2-ethyl-N-[[3-(2-ethylbutanoylamino)phenyl]methyl]butanamide
CID 52845726
methyl 3-(2-ethylbutanoylamino)benzoate
CID 43404089

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(3-methylsulfonylphenyl)butanamide?
The IUPAC name of 2-ethyl-N-(3-methylsulfonylphenyl)butanamide (CID 47118406) is 2-ethyl-N-(3-methylsulfonylphenyl)butanamide.
What is the SMILES notation for 2-ethyl-N-(3-methylsulfonylphenyl)butanamide?
The canonical SMILES for 2-ethyl-N-(3-methylsulfonylphenyl)butanamide is CCC(CC)C(=O)Nc1cccc(S(C)(=O)=O)c1.
What is the InChIKey of 2-ethyl-N-(3-methylsulfonylphenyl)butanamide?
The InChIKey is WJHALOXLUZSVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-4-10(5-2)13(15)14-11-7-6-8-12(9-11)18(3,16)17/h6-10H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 2-ethyl-N-(3-methylsulfonylphenyl)butanamide?
2-ethyl-N-(3-methylsulfonylphenyl)butanamide has a molecular weight of 269.37 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(3-methylsulfonylphenyl)butanamide is sourced from PubChem (CID 47118406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).