N-[2-oxo-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethyl]benzamide

C20H20F3N3O5S — CID 24544072

IUPACN-[2-oxo-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethyl]benzamide
SMILESO=C(NCC(=O)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1)c1ccccc1
InChIInChI=1S/C20H20F3N3O5S/c21-20(22,23)31-16-6-8-17(9-7-16)32(29,30)26-12-10-25(11-13-26)18(27)14-24-19(28)15-4-2-1-3-5-15/h1-9H,10-14H2,(H,24,28)
InChIKeyAFKONPWNYCZCSG-UHFFFAOYSA-N
MW471.46 g/mol
LogP1.85
Rot. Bonds6

About N-[2-oxo-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethyl]benzamide

N-[2-oxo-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethyl]benzamide (PubChem CID 24544072) has the molecular formula C20H20F3N3O5S and a molecular weight of 471.46 g/mol. Its IUPAC name is N-[2-oxo-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethyl]benzamide
PubChem CID24544072
Molecular FormulaC20H20F3N3O5S
Molecular Weight471.46 g/mol
Exact Mass471.11
IUPAC NameN-[2-oxo-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethyl]benzamide
SMILESO=C(NCC(=O)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1)c1ccccc1
InChIInChI=1S/C20H20F3N3O5S/c21-20(22,23)31-16-6-8-17(9-7-16)32(29,30)26-12-10-25(11-13-26)18(27)14-24-19(28)15-4-2-1-3-5-15/h1-9H,10-14H2,(H,24,28)
InChIKeyAFKONPWNYCZCSG-UHFFFAOYSA-N
XLogP1.85
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.46
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-oxo-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]benzamide
CID 26778544
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-4-butoxybenzamide
CID 27510251
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-4-(trifluoromethoxy)benzamide
CID 145307952
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-2-fluorobenzamide
CID 27510219
[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 27769595
pyridin-4-yl-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methanone
CID 4875578
3-(4-fluorophenyl)-1-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]butan-1-one
CID 55923966
2-thiophen-2-ylsulfanyl-1-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethanone
CID 30892099
N-[2-oxo-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 24543668
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 27508693
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 26203941
N-propyl-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine-1-carbothioamide
CID 8676167

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethyl]benzamide?
The IUPAC name of N-[2-oxo-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethyl]benzamide (CID 24544072) is N-[2-oxo-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethyl]benzamide.
What is the SMILES notation for N-[2-oxo-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethyl]benzamide?
The canonical SMILES for N-[2-oxo-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethyl]benzamide is O=C(NCC(=O)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1)c1ccccc1.
What is the InChIKey of N-[2-oxo-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethyl]benzamide?
The InChIKey is AFKONPWNYCZCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O5S/c21-20(22,23)31-16-6-8-17(9-7-16)32(29,30)26-12-10-25(11-13-26)18(27)14-24-19(28)15-4-2-1-3-5-15/h1-9H,10-14H2,(H,24,28).
What are the key properties of N-[2-oxo-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethyl]benzamide?
N-[2-oxo-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethyl]benzamide has a molecular weight of 471.46 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 24544072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).