N-[(4-fluorophenyl)methyl]-2-propylsulfonylacetamide

C12H16FNO3S — CID 47207572

IUPACN-[(4-fluorophenyl)methyl]-2-propylsulfonylacetamide
SMILESCCCS(=O)(=O)CC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C12H16FNO3S/c1-2-7-18(16,17)9-12(15)14-8-10-3-5-11(13)6-4-10/h3-6H,2,7-9H2,1H3,(H,14,15)
InChIKeyAMXPJYQWULFPCG-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.27
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-2-propylsulfonylacetamide

N-[(4-fluorophenyl)methyl]-2-propylsulfonylacetamide (PubChem CID 47207572) has the molecular formula C12H16FNO3S and a molecular weight of 273.33 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-propylsulfonylacetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-propylsulfonylacetamide
PubChem CID47207572
Molecular FormulaC12H16FNO3S
Molecular Weight273.33 g/mol
Exact Mass273.08
IUPAC NameN-[(4-fluorophenyl)methyl]-2-propylsulfonylacetamide
SMILESCCCS(=O)(=O)CC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C12H16FNO3S/c1-2-7-18(16,17)9-12(15)14-8-10-3-5-11(13)6-4-10/h3-6H,2,7-9H2,1H3,(H,14,15)
InChIKeyAMXPJYQWULFPCG-UHFFFAOYSA-N
XLogP1.27
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-propylsulfonylacetamide
CID 47207530
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 39083637
N-[(4-fluorophenyl)methyl]-2-propylsulfonylethanamine
CID 106723077
2-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 78761130
N-benzyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonylacetamide
CID 39083624
3-[(4-fluorophenyl)methylamino]-3-oxopropanoic acid
CID 62230048
2-chloro-N-[(4-fluorophenyl)methyl]acetamide
CID 2303709
N-[(4-fluorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464785
4-[[[2-(2-methoxyethylsulfonyl)acetyl]amino]methyl]benzoic acid
CID 119353555
(2R)-N-[(4-fluorophenyl)methyl]-2-methylbutanamide
CID 94606450
N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997698
3-bromo-N-[(4-fluorophenyl)methyl]propanamide
CID 82109688

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-propylsulfonylacetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-propylsulfonylacetamide (CID 47207572) is N-[(4-fluorophenyl)methyl]-2-propylsulfonylacetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-propylsulfonylacetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-propylsulfonylacetamide is CCCS(=O)(=O)CC(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-propylsulfonylacetamide?
The InChIKey is AMXPJYQWULFPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3S/c1-2-7-18(16,17)9-12(15)14-8-10-3-5-11(13)6-4-10/h3-6H,2,7-9H2,1H3,(H,14,15).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-propylsulfonylacetamide?
N-[(4-fluorophenyl)methyl]-2-propylsulfonylacetamide has a molecular weight of 273.33 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-propylsulfonylacetamide is sourced from PubChem (CID 47207572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).