2-(4-aminobutylsulfonyl)-N-(4-fluorophenyl)acetamide

C12H17FN2O3S — CID 82180278

IUPAC2-(4-aminobutylsulfonyl)-N-(4-fluorophenyl)acetamide
SMILESNCCCCS(=O)(=O)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H17FN2O3S/c13-10-3-5-11(6-4-10)15-12(16)9-19(17,18)8-2-1-7-14/h3-6H,1-2,7-9,14H2,(H,15,16)
InChIKeyNXDZJGDIRPHPBS-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.92
Rot. Bonds7

About 2-(4-aminobutylsulfonyl)-N-(4-fluorophenyl)acetamide

2-(4-aminobutylsulfonyl)-N-(4-fluorophenyl)acetamide (PubChem CID 82180278) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-(4-aminobutylsulfonyl)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-aminobutylsulfonyl)-N-(4-fluorophenyl)acetamide
PubChem CID82180278
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC Name2-(4-aminobutylsulfonyl)-N-(4-fluorophenyl)acetamide
SMILESNCCCCS(=O)(=O)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H17FN2O3S/c13-10-3-5-11(6-4-10)15-12(16)9-19(17,18)8-2-1-7-14/h3-6H,1-2,7-9,14H2,(H,15,16)
InChIKeyNXDZJGDIRPHPBS-UHFFFAOYSA-N
XLogP0.92
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.92
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

2-(3-aminopropylsulfonyl)-N-(4-methoxyphenyl)acetamide
CID 81187922
N-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylacetamide
CID 23409059
2-(2-aminoethylsulfonyl)-N-(4-ethylphenyl)acetamide
CID 82179944
N-(4-fluorophenyl)-2-(4-fluorophenyl)sulfonylacetamide
CID 7544878
N-cyclopropyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetamide
CID 39083672
N-(4-ethylphenyl)-2-[(4-fluorophenyl)methylsulfonyl]acetamide
CID 7731180
2-[2-(diethylamino)-2-oxoethyl]sulfonyl-N-(4-fluorophenyl)acetamide
CID 39076319
N-(2-amino-4-fluorophenyl)-2-butylsulfonylacetamide
CID 43615939
N-benzyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetamide
CID 39083624
N-(3,4-difluorophenyl)-2-(3-phenylpropylsulfonyl)acetamide
CID 38955056
N-(4-ethylphenyl)-2-(3-hydroxypropylsulfonyl)acetamide
CID 82181831
2-(3-aminopropylsulfonyl)-N-(2,6-dimethylphenyl)acetamide
CID 82180091

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutylsulfonyl)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(4-aminobutylsulfonyl)-N-(4-fluorophenyl)acetamide (CID 82180278) is 2-(4-aminobutylsulfonyl)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(4-aminobutylsulfonyl)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(4-aminobutylsulfonyl)-N-(4-fluorophenyl)acetamide is NCCCCS(=O)(=O)CC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-(4-aminobutylsulfonyl)-N-(4-fluorophenyl)acetamide?
The InChIKey is NXDZJGDIRPHPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c13-10-3-5-11(6-4-10)15-12(16)9-19(17,18)8-2-1-7-14/h3-6H,1-2,7-9,14H2,(H,15,16).
What are the key properties of 2-(4-aminobutylsulfonyl)-N-(4-fluorophenyl)acetamide?
2-(4-aminobutylsulfonyl)-N-(4-fluorophenyl)acetamide has a molecular weight of 288.34 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutylsulfonyl)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 82180278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).