N-prop-2-enyl-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide

C16H20F3N3O3S — CID 4824636

IUPACN-prop-2-enyl-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
SMILESC=CCNC(=O)CN1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C16H20F3N3O3S/c1-2-7-20-15(23)12-21-8-10-22(11-9-21)26(24,25)14-6-4-3-5-13(14)16(17,18)19/h2-6H,1,7-12H2,(H,20,23)
InChIKeyXKIHUASUZONDFD-UHFFFAOYSA-N
MW391.42 g/mol
LogP1.31
Rot. Bonds6

About N-prop-2-enyl-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide

N-prop-2-enyl-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide (PubChem CID 4824636) has the molecular formula C16H20F3N3O3S and a molecular weight of 391.42 g/mol. Its IUPAC name is N-prop-2-enyl-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-prop-2-enyl-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
PubChem CID4824636
Molecular FormulaC16H20F3N3O3S
Molecular Weight391.42 g/mol
Exact Mass391.12
IUPAC NameN-prop-2-enyl-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
SMILESC=CCNC(=O)CN1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C16H20F3N3O3S/c1-2-7-20-15(23)12-21-8-10-22(11-9-21)26(24,25)14-6-4-3-5-13(14)16(17,18)19/h2-6H,1,7-12H2,(H,20,23)
InChIKeyXKIHUASUZONDFD-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-prop-2-enyl-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide (CID 4824636) is N-prop-2-enyl-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-prop-2-enyl-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-prop-2-enyl-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide is C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of N-prop-2-enyl-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide?
The InChIKey is XKIHUASUZONDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O3S/c1-2-7-20-15(23)12-21-8-10-22(11-9-21)26(24,25)14-6-4-3-5-13(14)16(17,18)19/h2-6H,1,7-12H2,(H,20,23).
What are the key properties of N-prop-2-enyl-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide?
N-prop-2-enyl-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide has a molecular weight of 391.42 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 4824636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).