2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C16H20F3N3O3S — CID 8748522

IUPAC2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)NCC(F)(F)F
InChIInChI=1S/C16H20F3N3O3S/c17-16(18,19)13-20-15(23)12-21-7-9-22(10-8-21)26(24,25)11-6-14-4-2-1-3-5-14/h1-6,11H,7-10,12-13H2,(H,20,23)/b11-6+
InChIKeySHLNFYOVPXIOEY-IZZDOVSWSA-N
MW391.42 g/mol
LogP1.28
Rot. Bonds6

About 2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 8748522) has the molecular formula C16H20F3N3O3S and a molecular weight of 391.42 g/mol. Its IUPAC name is 2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID8748522
Molecular FormulaC16H20F3N3O3S
Molecular Weight391.42 g/mol
Exact Mass391.12
IUPAC Name2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)NCC(F)(F)F
InChIInChI=1S/C16H20F3N3O3S/c17-16(18,19)13-20-15(23)12-21-7-9-22(10-8-21)26(24,25)11-6-14-4-2-1-3-5-14/h1-6,11H,7-10,12-13H2,(H,20,23)/b11-6+
InChIKeySHLNFYOVPXIOEY-IZZDOVSWSA-N
XLogP1.28
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 8748522) is 2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)NCC(F)(F)F.
What is the InChIKey of 2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is SHLNFYOVPXIOEY-IZZDOVSWSA-N. The full InChI is InChI=1S/C16H20F3N3O3S/c17-16(18,19)13-20-15(23)12-21-7-9-22(10-8-21)26(24,25)11-6-14-4-2-1-3-5-14/h1-6,11H,7-10,12-13H2,(H,20,23)/b11-6+.
What are the key properties of 2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 391.42 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 8748522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).