2-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide

C16H18FN3O3S — CID 112993738

IUPAC2-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
SMILESCN(CCc1ccncc1)C(=O)CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H18FN3O3S/c1-20(11-8-13-6-9-18-10-7-13)16(21)12-19-24(22,23)15-4-2-14(17)3-5-15/h2-7,9-10,19H,8,11-12H2,1H3
InChIKeyVXZVVQKAEGWCOZ-UHFFFAOYSA-N
MW351.40 g/mol
LogP1.20
Rot. Bonds7

About 2-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide

2-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide (PubChem CID 112993738) has the molecular formula C16H18FN3O3S and a molecular weight of 351.40 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
PubChem CID112993738
Molecular FormulaC16H18FN3O3S
Molecular Weight351.40 g/mol
Exact Mass351.11
IUPAC Name2-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
SMILESCN(CCc1ccncc1)C(=O)CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H18FN3O3S/c1-20(11-8-13-6-9-18-10-7-13)16(21)12-19-24(22,23)15-4-2-14(17)3-5-15/h2-7,9-10,19H,8,11-12H2,1H3
InChIKeyVXZVVQKAEGWCOZ-UHFFFAOYSA-N
XLogP1.20
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide
CID 112993682
N-methyl-3-[4-(methylsulfamoyl)phenyl]-N-(2-pyridin-4-ylethyl)propanamide
CID 90649211
N-methyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 60913880
N-methyl-4-(propylsulfamoyl)-N-(2-pyridin-4-ylethyl)benzamide
CID 109058007
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 112993755
N-methyl-N-(2-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78942343
N-methyl-N-(2-pyridin-4-ylethyl)-2-(2,3,4-trifluoroanilino)acetamide
CID 109001618
N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 108993197
N-methyl-N-(2-pyridin-2-ylethyl)-2-[[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]sulfonylamino]acetamide
CID 126796523
2,2-dimethyl-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]propanamide
CID 112993675
2-amino-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]acetamide
CID 54944012
2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 60913202

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
The IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide (CID 112993738) is 2-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide is CN(CCc1ccncc1)C(=O)CNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
The InChIKey is VXZVVQKAEGWCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3S/c1-20(11-8-13-6-9-18-10-7-13)16(21)12-19-24(22,23)15-4-2-14(17)3-5-15/h2-7,9-10,19H,8,11-12H2,1H3.
What are the key properties of 2-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
2-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide has a molecular weight of 351.40 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide is sourced from PubChem (CID 112993738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).