2-(4-chlorophenoxy)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]acetamide

C20H23ClFN3O4S — CID 22578826

IUPAC2-(4-chlorophenoxy)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H23ClFN3O4S/c21-16-5-7-17(8-6-16)29-15-20(26)23-9-14-30(27,28)25-12-10-24(11-13-25)19-4-2-1-3-18(19)22/h1-8H,9-15H2,(H,23,26)
InChIKeyNNOMNNCDQQMRED-UHFFFAOYSA-N
MW455.94 g/mol
LogP2.13
Rot. Bonds8

About 2-(4-chlorophenoxy)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]acetamide

2-(4-chlorophenoxy)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]acetamide (PubChem CID 22578826) has the molecular formula C20H23ClFN3O4S and a molecular weight of 455.94 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]acetamide
PubChem CID22578826
Molecular FormulaC20H23ClFN3O4S
Molecular Weight455.94 g/mol
Exact Mass455.11
IUPAC Name2-(4-chlorophenoxy)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H23ClFN3O4S/c21-16-5-7-17(8-6-16)29-15-20(26)23-9-14-30(27,28)25-12-10-24(11-13-25)19-4-2-1-3-18(19)22/h1-8H,9-15H2,(H,23,26)
InChIKeyNNOMNNCDQQMRED-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Acetamide, N-(4-(aminosulfonyl)phenyl)-2-(4-chlorophenoxy)-
CID 151533
2-(7-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[4-[(propan-2-ylsulfonylamino)methyl]cyclohexyl]acetamide
CID 56683704
2-(3-chloro-4-fluorophenoxy)-N-(4-morpholin-4-ylphenyl)acetamide
CID 4880796
2-(4-chlorophenoxy)-N-(2-morpholinophenyl)propionamide
CID 16321487
1-[(2-Chlorophenoxy)acetyl]-4-(4-fluorophenyl)piperazine
CID 716264
N-(2-(3,4-Dichlorophenylamino)ethyl)-2-(4-(methylsulfonamido)phenoxy)acetamide
CID 44622834
N-(4-(2-(4-(3,4-Dichlorophenyl)piperazin-1-yl)-2-oxoethoxy)phenyl)methanesulfonamide
CID 46227094
N-(2-Fluoro-phenyl)-2-[4-(morpholine-4-sulfonyl)-phenoxy]-acetamide
CID 6457540
1-[(2-Chlorophenoxy)acetyl]-4-(2-fluorophenyl)piperazine
CID 977705
4-{2-[4-(3-chlorophenyl)-1-piperazinyl]-2-oxoethoxy}-N-cyclohexylbenzenesulfonamide
CID 1005987
4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]-N-(propan-2-yl)benzenesulfonamide
CID 1084702
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-ethoxyphenyl)acetamide
CID 1091403

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]acetamide (CID 22578826) is 2-(4-chlorophenoxy)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]acetamide is O=C(COc1ccc(Cl)cc1)NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]acetamide?
The InChIKey is NNOMNNCDQQMRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClFN3O4S/c21-16-5-7-17(8-6-16)29-15-20(26)23-9-14-30(27,28)25-12-10-24(11-13-25)19-4-2-1-3-18(19)22/h1-8H,9-15H2,(H,23,26).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]acetamide?
2-(4-chlorophenoxy)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]acetamide has a molecular weight of 455.94 g/mol, XLogP of 2.13, 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-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]acetamide is sourced from PubChem (CID 22578826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).