N-(2,5-dimethylphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide

C20H24FN3O3S — CID 8747504

IUPACN-(2,5-dimethylphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCc1ccc(C)c(NC(=O)CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C20H24FN3O3S/c1-15-3-4-16(2)19(13-15)22-20(25)14-23-9-11-24(12-10-23)28(26,27)18-7-5-17(21)6-8-18/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)
InChIKeyJWRBPFZYBUKWTI-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.39
Rot. Bonds5

About N-(2,5-dimethylphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide

N-(2,5-dimethylphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 8747504) has the molecular formula C20H24FN3O3S and a molecular weight of 405.50 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
PubChem CID8747504
Molecular FormulaC20H24FN3O3S
Molecular Weight405.50 g/mol
Exact Mass405.15
IUPAC NameN-(2,5-dimethylphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCc1ccc(C)c(NC(=O)CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C20H24FN3O3S/c1-15-3-4-16(2)19(13-15)22-20(25)14-23-9-11-24(12-10-23)28(26,27)18-7-5-17(21)6-8-18/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)
InChIKeyJWRBPFZYBUKWTI-UHFFFAOYSA-N
XLogP2.39
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 7026017
N-(3-fluoro-4-methylphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 5190053
N-(4-bromo-2-methylphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 27174526
N-(2-chloro-4-methylphenyl)-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 27182446
N-[4-(dimethylamino)-2-methylphenyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 60513950
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N-(5-fluoro-2-methylphenyl)acetamide
CID 1448805
N-(2,5-dimethylphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901854
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-methyl-5-nitrophenyl)acetamide
CID 2655724
N-(2-bromo-4-methylphenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 27217788
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methyl-5-nitrophenyl)acetamide
CID 2655662
N-(4-fluorophenyl)-2-[4-(4-methyl-3-nitrophenyl)sulfonylpiperazin-1-yl]acetamide
CID 18192065
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 2088389

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide (CID 8747504) is N-(2,5-dimethylphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide is Cc1ccc(C)c(NC(=O)CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is JWRBPFZYBUKWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3S/c1-15-3-4-16(2)19(13-15)22-20(25)14-23-9-11-24(12-10-23)28(26,27)18-7-5-17(21)6-8-18/h3-8,13H,9-12,14H2,1-2H3,(H,22,25).
What are the key properties of N-(2,5-dimethylphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide?
N-(2,5-dimethylphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 405.50 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 8747504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).