2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide

C17H20FN3O3S2 — CID 24979472

IUPAC2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)NCc1cccs1
InChIInChI=1S/C17H20FN3O3S2/c18-14-3-5-16(6-4-14)26(23,24)21-9-7-20(8-10-21)13-17(22)19-12-15-2-1-11-25-15/h1-6,11H,7-10,12-13H2,(H,19,22)
InChIKeyLJJCGFIJXHNCSN-UHFFFAOYSA-N
MW397.50 g/mol
LogP1.51
Rot. Bonds6

About 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide

2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 24979472) has the molecular formula C17H20FN3O3S2 and a molecular weight of 397.50 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID24979472
Molecular FormulaC17H20FN3O3S2
Molecular Weight397.50 g/mol
Exact Mass397.09
IUPAC Name2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)NCc1cccs1
InChIInChI=1S/C17H20FN3O3S2/c18-14-3-5-16(6-4-14)26(23,24)21-9-7-20(8-10-21)13-17(22)19-12-15-2-1-11-25-15/h1-6,11H,7-10,12-13H2,(H,19,22)
InChIKeyLJJCGFIJXHNCSN-UHFFFAOYSA-N
XLogP1.51
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 24979472) is 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide is O=C(CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)NCc1cccs1.
What is the InChIKey of 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is LJJCGFIJXHNCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3S2/c18-14-3-5-16(6-4-14)26(23,24)21-9-7-20(8-10-21)13-17(22)19-12-15-2-1-11-25-15/h1-6,11H,7-10,12-13H2,(H,19,22).
What are the key properties of 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 397.50 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 24979472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).