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

C20H23ClFN3O4S — CID 29196142

IUPAC2-(4-chlorophenoxy)-N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCCN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H23ClFN3O4S/c21-16-1-5-18(6-2-16)29-15-20(26)23-9-10-24-11-13-25(14-12-24)30(27,28)19-7-3-17(22)4-8-19/h1-8H,9-15H2,(H,23,26)
InChIKeyAFIAJRPCNUOWCU-UHFFFAOYSA-N
MW455.94 g/mol
LogP1.98
Rot. Bonds8

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

2-(4-chlorophenoxy)-N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]acetamide (PubChem CID 29196142) has the molecular formula C20H23ClFN3O4S and a molecular weight of 455.94 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]acetamide
PubChem CID29196142
Molecular FormulaC20H23ClFN3O4S
Molecular Weight455.94 g/mol
Exact Mass455.11
IUPAC Name2-(4-chlorophenoxy)-N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCCN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H23ClFN3O4S/c21-16-1-5-18(6-2-16)29-15-20(26)23-9-10-24-11-13-25(14-12-24)30(27,28)19-7-3-17(22)4-8-19/h1-8H,9-15H2,(H,23,26)
InChIKeyAFIAJRPCNUOWCU-UHFFFAOYSA-N
XLogP1.98
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.94
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 9331335
1-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 113074605
2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-[(4-fluorophenyl)methyl]acetamide
CID 28554565
N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-2,2-dimethylpropanamide
CID 29195944
2-(3-methoxyphenoxy)-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide
CID 16826979
2-(1,3-dioxoisoindol-2-yl)-N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]acetamide
CID 29196348
2-(4-chlorophenoxy)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 1074719
2-(4-fluorophenoxy)-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 16881283
2-(3-chloro-4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 134002654
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-methoxyphenoxy)acetamide
CID 42266721
N-(2-hydroxyethyl)-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 3544806
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 34992328

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]acetamide (CID 29196142) is 2-(4-chlorophenoxy)-N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]acetamide is O=C(COc1ccc(Cl)cc1)NCCN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]acetamide?
The InChIKey is AFIAJRPCNUOWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClFN3O4S/c21-16-1-5-18(6-2-16)29-15-20(26)23-9-10-24-11-13-25(14-12-24)30(27,28)19-7-3-17(22)4-8-19/h1-8H,9-15H2,(H,23,26).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]acetamide?
2-(4-chlorophenoxy)-N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]acetamide has a molecular weight of 455.94 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 29196142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).