4-amino-N-(4-ethylsulfonylphenyl)butanamide

C12H18N2O3S — CID 43704501

IUPAC4-amino-N-(4-ethylsulfonylphenyl)butanamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)CCCN)cc1
InChIInChI=1S/C12H18N2O3S/c1-2-18(16,17)11-7-5-10(6-8-11)14-12(15)4-3-9-13/h5-8H,2-4,9,13H2,1H3,(H,14,15)
InChIKeyWXFIBOWCBZNELF-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.16
Rot. Bonds6

About 4-amino-N-(4-ethylsulfonylphenyl)butanamide

4-amino-N-(4-ethylsulfonylphenyl)butanamide (PubChem CID 43704501) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 4-amino-N-(4-ethylsulfonylphenyl)butanamide.

Molecular Properties

Compound Name4-amino-N-(4-ethylsulfonylphenyl)butanamide
PubChem CID43704501
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name4-amino-N-(4-ethylsulfonylphenyl)butanamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)CCCN)cc1
InChIInChI=1S/C12H18N2O3S/c1-2-18(16,17)11-7-5-10(6-8-11)14-12(15)4-3-9-13/h5-8H,2-4,9,13H2,1H3,(H,14,15)
InChIKeyWXFIBOWCBZNELF-UHFFFAOYSA-N
XLogP1.16
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylsulfonylphenyl)-4-(methylamino)butanamide
CID 60842770
4-(4-ethylsulfonylanilino)-4-oxobutanoic acid
CID 54867875
4-amino-N-[4-(propanoylamino)phenyl]butanamide;hydrochloride
CID 119296184
4-amino-N-[4-(carbamoylamino)phenyl]butanamide
CID 43711123
ethyl 4-(4-ethylsulfonylanilino)-4-oxobutanoate
CID 30179824
4-amino-N-(4-aminophenyl)butanamide
CID 90105668
6-amino-N-[4-(ethylsulfonylamino)phenyl]hexanamide
CID 60944515
4-amino-N-[4-(methylcarbamoylamino)phenyl]butanamide
CID 43710929
7-amino-N-[4-(propylsulfamoyl)phenyl]heptanamide;hydrochloride
CID 119720435
N-(4-methylphenyl)-4-(4-methylphenyl)sulfonylbutanamide
CID 12559254
4-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide
CID 43711207
4-amino-N-(4-pentylphenyl)butanamide
CID 61248586

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-ethylsulfonylphenyl)butanamide?
The IUPAC name of 4-amino-N-(4-ethylsulfonylphenyl)butanamide (CID 43704501) is 4-amino-N-(4-ethylsulfonylphenyl)butanamide.
What is the SMILES notation for 4-amino-N-(4-ethylsulfonylphenyl)butanamide?
The canonical SMILES for 4-amino-N-(4-ethylsulfonylphenyl)butanamide is CCS(=O)(=O)c1ccc(NC(=O)CCCN)cc1.
What is the InChIKey of 4-amino-N-(4-ethylsulfonylphenyl)butanamide?
The InChIKey is WXFIBOWCBZNELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-2-18(16,17)11-7-5-10(6-8-11)14-12(15)4-3-9-13/h5-8H,2-4,9,13H2,1H3,(H,14,15).
What are the key properties of 4-amino-N-(4-ethylsulfonylphenyl)butanamide?
4-amino-N-(4-ethylsulfonylphenyl)butanamide has a molecular weight of 270.35 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-ethylsulfonylphenyl)butanamide is sourced from PubChem (CID 43704501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).