2-[4-(6-tert-butylsulfonyl-3-pyridinyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide

C21H27FN4O3S — CID 133417213

IUPAC2-[4-(6-tert-butylsulfonyl-3-pyridinyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESCC(C)(C)S(=O)(=O)c1ccc(N2CCN(CC(=O)Nc3ccccc3F)CC2)cn1
InChIInChI=1S/C21H27FN4O3S/c1-21(2,3)30(28,29)20-9-8-16(14-23-20)26-12-10-25(11-13-26)15-19(27)24-18-7-5-4-6-17(18)22/h4-9,14H,10-13,15H2,1-3H3,(H,24,27)
InChIKeyOIMLTKDXIJOMNH-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.55
Rot. Bonds5

About 2-[4-(6-tert-butylsulfonyl-3-pyridinyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide

2-[4-(6-tert-butylsulfonyl-3-pyridinyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 133417213) has the molecular formula C21H27FN4O3S and a molecular weight of 434.54 g/mol. Its IUPAC name is 2-[4-(6-tert-butylsulfonyl-3-pyridinyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(6-tert-butylsulfonyl-3-pyridinyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
PubChem CID133417213
Molecular FormulaC21H27FN4O3S
Molecular Weight434.54 g/mol
Exact Mass434.18
IUPAC Name2-[4-(6-tert-butylsulfonyl-3-pyridinyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESCC(C)(C)S(=O)(=O)c1ccc(N2CCN(CC(=O)Nc3ccccc3F)CC2)cn1
InChIInChI=1S/C21H27FN4O3S/c1-21(2,3)30(28,29)20-9-8-16(14-23-20)26-12-10-25(11-13-26)15-19(27)24-18-7-5-4-6-17(18)22/h4-9,14H,10-13,15H2,1-3H3,(H,24,27)
InChIKeyOIMLTKDXIJOMNH-UHFFFAOYSA-N
XLogP2.55
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 5019099
[4-(6-tert-butylsulfonyl-3-pyridinyl)-1,4-diazepan-1-yl]-(2-fluorophenyl)methanone
CID 133373545
N-[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-4-yl]-2-fluorobenzamide
CID 133373930
5-(4-ethylpiperazin-1-yl)-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109186840
2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 8771312
N-(2-fluorophenyl)-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]acetamide
CID 133417231
N-(2-fluorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 6466887
N-benzyl-4-[4-[2-(2-fluoroanilino)-2-oxoethyl]piperazin-1-yl]pyridine-2-carboxamide
CID 133417321
N-[2-(difluoromethylsulfonyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 55464521
2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 8746898
N-(2-fluorophenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]acetamide
CID 2655894
2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 9286817

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-tert-butylsulfonyl-3-pyridinyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(6-tert-butylsulfonyl-3-pyridinyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide (CID 133417213) is 2-[4-(6-tert-butylsulfonyl-3-pyridinyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(6-tert-butylsulfonyl-3-pyridinyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(6-tert-butylsulfonyl-3-pyridinyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide is CC(C)(C)S(=O)(=O)c1ccc(N2CCN(CC(=O)Nc3ccccc3F)CC2)cn1.
What is the InChIKey of 2-[4-(6-tert-butylsulfonyl-3-pyridinyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is OIMLTKDXIJOMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O3S/c1-21(2,3)30(28,29)20-9-8-16(14-23-20)26-12-10-25(11-13-26)15-19(27)24-18-7-5-4-6-17(18)22/h4-9,14H,10-13,15H2,1-3H3,(H,24,27).
What are the key properties of 2-[4-(6-tert-butylsulfonyl-3-pyridinyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide?
2-[4-(6-tert-butylsulfonyl-3-pyridinyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 434.54 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-tert-butylsulfonyl-3-pyridinyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 133417213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).