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

C21H26FN3O4S — CID 16825866

IUPAC2-(4-fluorophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]acetamide
SMILESCOc1ccccc1N1CCN(S(=O)(=O)CCNC(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C21H26FN3O4S/c1-29-20-5-3-2-4-19(20)24-11-13-25(14-12-24)30(27,28)15-10-23-21(26)16-17-6-8-18(22)9-7-17/h2-9H,10-16H2,1H3,(H,23,26)
InChIKeyJFXAPCVMXDQLNO-UHFFFAOYSA-N
MW435.52 g/mol
LogP1.64
Rot. Bonds8

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

2-(4-fluorophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]acetamide (PubChem CID 16825866) has the molecular formula C21H26FN3O4S and a molecular weight of 435.52 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]acetamide
PubChem CID16825866
Molecular FormulaC21H26FN3O4S
Molecular Weight435.52 g/mol
Exact Mass435.16
IUPAC Name2-(4-fluorophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]acetamide
SMILESCOc1ccccc1N1CCN(S(=O)(=O)CCNC(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C21H26FN3O4S/c1-29-20-5-3-2-4-19(20)24-11-13-25(14-12-24)30(27,28)15-10-23-21(26)16-17-6-8-18(22)9-7-17/h2-9H,10-16H2,1H3,(H,23,26)
InChIKeyJFXAPCVMXDQLNO-UHFFFAOYSA-N
XLogP1.64
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]acetamide (CID 16825866) is 2-(4-fluorophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]acetamide is COc1ccccc1N1CCN(S(=O)(=O)CCNC(=O)Cc2ccc(F)cc2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]acetamide?
The InChIKey is JFXAPCVMXDQLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O4S/c1-29-20-5-3-2-4-19(20)24-11-13-25(14-12-24)30(27,28)15-10-23-21(26)16-17-6-8-18(22)9-7-17/h2-9H,10-16H2,1H3,(H,23,26).
What are the key properties of 2-(4-fluorophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]acetamide?
2-(4-fluorophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]acetamide has a molecular weight of 435.52 g/mol, XLogP of 1.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]acetamide is sourced from PubChem (CID 16825866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).