2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide

C21H26FN3O3S — CID 8749292

IUPAC2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CN(C)C(=O)CN2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1
InChIInChI=1S/C21H26FN3O3S/c1-17-7-9-18(10-8-17)15-23(2)21(26)16-24-11-13-25(14-12-24)29(27,28)20-6-4-3-5-19(20)22/h3-10H,11-16H2,1-2H3
InChIKeyHQPQFHRBXHOYKY-UHFFFAOYSA-N
MW419.52 g/mol
LogP2.10
Rot. Bonds6

About 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide

2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 8749292) has the molecular formula C21H26FN3O3S and a molecular weight of 419.52 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
PubChem CID8749292
Molecular FormulaC21H26FN3O3S
Molecular Weight419.52 g/mol
Exact Mass419.17
IUPAC Name2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CN(C)C(=O)CN2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1
InChIInChI=1S/C21H26FN3O3S/c1-17-7-9-18(10-8-17)15-23(2)21(26)16-24-11-13-25(14-12-24)29(27,28)20-6-4-3-5-19(20)22/h3-10H,11-16H2,1-2H3
InChIKeyHQPQFHRBXHOYKY-UHFFFAOYSA-N
XLogP2.10
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(benzenesulfonyl)piperazin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 8743401
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-phenylacetamide
CID 40702187
N-methyl-N-[(4-methylphenyl)methyl]-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 27125640
N-(2-cyanopropan-2-yl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methylacetamide
CID 8690260
N-benzyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-methylacetamide
CID 2471437
methyl N-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]carbamate
CID 8749312
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-phenylacetamide
CID 8749460
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 55353772
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 17448409
N-benzyl-1-(2-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 27665709
N-methyl-N-[(4-methylphenyl)methyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 8544482
N-(2,6-dichlorophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 3910808

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide (CID 8749292) is 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CN(C)C(=O)CN2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1.
What is the InChIKey of 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is HQPQFHRBXHOYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O3S/c1-17-7-9-18(10-8-17)15-23(2)21(26)16-24-11-13-25(14-12-24)29(27,28)20-6-4-3-5-19(20)22/h3-10H,11-16H2,1-2H3.
What are the key properties of 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 419.52 g/mol, XLogP of 2.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 8749292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).