N-[1-(4-bromophenyl)ethyl]-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide

C20H23BrFN3O3S — CID 55353744

IUPACN-[1-(4-bromophenyl)ethyl]-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCC(NC(=O)CN1CCN(S(=O)(=O)c2ccccc2F)CC1)c1ccc(Br)cc1
InChIInChI=1S/C20H23BrFN3O3S/c1-15(16-6-8-17(21)9-7-16)23-20(26)14-24-10-12-25(13-11-24)29(27,28)19-5-3-2-4-18(19)22/h2-9,15H,10-14H2,1H3,(H,23,26)
InChIKeyFPNONHYQWOFLBM-UHFFFAOYSA-N
MW484.39 g/mol
LogP2.77
Rot. Bonds6

About N-[1-(4-bromophenyl)ethyl]-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide

N-[1-(4-bromophenyl)ethyl]-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 55353744) has the molecular formula C20H23BrFN3O3S and a molecular weight of 484.39 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
PubChem CID55353744
Molecular FormulaC20H23BrFN3O3S
Molecular Weight484.39 g/mol
Exact Mass483.06
IUPAC NameN-[1-(4-bromophenyl)ethyl]-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCC(NC(=O)CN1CCN(S(=O)(=O)c2ccccc2F)CC1)c1ccc(Br)cc1
InChIInChI=1S/C20H23BrFN3O3S/c1-15(16-6-8-17(21)9-7-16)23-20(26)14-24-10-12-25(13-11-24)29(27,28)19-5-3-2-4-18(19)22/h2-9,15H,10-14H2,1H3,(H,23,26)
InChIKeyFPNONHYQWOFLBM-UHFFFAOYSA-N
XLogP2.77
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 55353743
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 55411010
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 8749332
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-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 8730834
2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 8730839
2-[4,7-bis[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide
CID 100946771
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8528890
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 17448409
N-(2,6-dichlorophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 3910808
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 8704016

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide (CID 55353744) is N-[1-(4-bromophenyl)ethyl]-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide is CC(NC(=O)CN1CCN(S(=O)(=O)c2ccccc2F)CC1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is FPNONHYQWOFLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrFN3O3S/c1-15(16-6-8-17(21)9-7-16)23-20(26)14-24-10-12-25(13-11-24)29(27,28)19-5-3-2-4-18(19)22/h2-9,15H,10-14H2,1H3,(H,23,26).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide?
N-[1-(4-bromophenyl)ethyl]-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 484.39 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 55353744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).