2-(4-fluorophenyl)-2-[4-[2-(methylsulfamoyl)phenyl]piperazin-1-yl]acetamide

C19H23FN4O3S — CID 86886071

IUPAC2-(4-fluorophenyl)-2-[4-[2-(methylsulfamoyl)phenyl]piperazin-1-yl]acetamide
SMILESCNS(=O)(=O)c1ccccc1N1CCN(C(C(N)=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H23FN4O3S/c1-22-28(26,27)17-5-3-2-4-16(17)23-10-12-24(13-11-23)18(19(21)25)14-6-8-15(20)9-7-14/h2-9,18,22H,10-13H2,1H3,(H2,21,25)
InChIKeyWVXKIGGUWHMHCM-UHFFFAOYSA-N
MW406.48 g/mol
LogP1.08
Rot. Bonds6

About 2-(4-fluorophenyl)-2-[4-[2-(methylsulfamoyl)phenyl]piperazin-1-yl]acetamide

2-(4-fluorophenyl)-2-[4-[2-(methylsulfamoyl)phenyl]piperazin-1-yl]acetamide (PubChem CID 86886071) has the molecular formula C19H23FN4O3S and a molecular weight of 406.48 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-[4-[2-(methylsulfamoyl)phenyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-[4-[2-(methylsulfamoyl)phenyl]piperazin-1-yl]acetamide
PubChem CID86886071
Molecular FormulaC19H23FN4O3S
Molecular Weight406.48 g/mol
Exact Mass406.15
IUPAC Name2-(4-fluorophenyl)-2-[4-[2-(methylsulfamoyl)phenyl]piperazin-1-yl]acetamide
SMILESCNS(=O)(=O)c1ccccc1N1CCN(C(C(N)=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H23FN4O3S/c1-22-28(26,27)17-5-3-2-4-16(17)23-10-12-24(13-11-23)18(19(21)25)14-6-8-15(20)9-7-14/h2-9,18,22H,10-13H2,1H3,(H2,21,25)
InChIKeyWVXKIGGUWHMHCM-UHFFFAOYSA-N
XLogP1.08
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(4-prop-2-enoylpiperazin-1-yl)benzenesulfonamide
CID 166406112
2-(4-benzoylpiperazin-1-yl)-2-(4-fluorophenyl)acetamide
CID 69403152
2-(4-fluorophenyl)-2-pyrrolidin-1-ylacetamide
CID 82114619
2-[4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-N-methylbenzenesulfonamide
CID 133457533
N-methyl-2-[4-(4,4,4-trifluoro-2-hydroxybutyl)piperazin-1-yl]benzenesulfonamide
CID 119044725
methyl (2S)-2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate
CID 7327391
(2R)-2-(4-fluorophenyl)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]acetamide
CID 95309214
2-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-N-methylbenzenesulfonamide
CID 120848242
methyl 2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate bromide
CID 43831496
2-[4-(azetidin-3-yl)piperazin-1-yl]-N-methylbenzenesulfonamide
CID 66201049
(2S)-2-(4-benzoyl-1,4-diazepan-1-yl)-2-(4-fluorophenyl)acetamide
CID 30807703
2-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenylacetamide
CID 17433888

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-[4-[2-(methylsulfamoyl)phenyl]piperazin-1-yl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-2-[4-[2-(methylsulfamoyl)phenyl]piperazin-1-yl]acetamide (CID 86886071) is 2-(4-fluorophenyl)-2-[4-[2-(methylsulfamoyl)phenyl]piperazin-1-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-2-[4-[2-(methylsulfamoyl)phenyl]piperazin-1-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-2-[4-[2-(methylsulfamoyl)phenyl]piperazin-1-yl]acetamide is CNS(=O)(=O)c1ccccc1N1CCN(C(C(N)=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-2-[4-[2-(methylsulfamoyl)phenyl]piperazin-1-yl]acetamide?
The InChIKey is WVXKIGGUWHMHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O3S/c1-22-28(26,27)17-5-3-2-4-16(17)23-10-12-24(13-11-23)18(19(21)25)14-6-8-15(20)9-7-14/h2-9,18,22H,10-13H2,1H3,(H2,21,25).
What are the key properties of 2-(4-fluorophenyl)-2-[4-[2-(methylsulfamoyl)phenyl]piperazin-1-yl]acetamide?
2-(4-fluorophenyl)-2-[4-[2-(methylsulfamoyl)phenyl]piperazin-1-yl]acetamide has a molecular weight of 406.48 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-[4-[2-(methylsulfamoyl)phenyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 86886071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).