4-ethoxy-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]benzamide

C21H26FN3O4S — CID 16825823

IUPAC4-ethoxy-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]benzamide
SMILESCCOc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C21H26FN3O4S/c1-2-29-18-9-7-17(8-10-18)21(26)23-11-16-30(27,28)25-14-12-24(13-15-25)20-6-4-3-5-19(20)22/h3-10H,2,11-16H2,1H3,(H,23,26)
InChIKeyZSXLTIWZKNFWFN-UHFFFAOYSA-N
MW435.52 g/mol
LogP2.11
Rot. Bonds8

About 4-ethoxy-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]benzamide

4-ethoxy-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]benzamide (PubChem CID 16825823) has the molecular formula C21H26FN3O4S and a molecular weight of 435.52 g/mol. Its IUPAC name is 4-ethoxy-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]benzamide
PubChem CID16825823
Molecular FormulaC21H26FN3O4S
Molecular Weight435.52 g/mol
Exact Mass435.16
IUPAC Name4-ethoxy-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]benzamide
SMILESCCOc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C21H26FN3O4S/c1-2-29-18-9-7-17(8-10-18)21(26)23-11-16-30(27,28)25-14-12-24(13-15-25)20-6-4-3-5-19(20)22/h3-10H,2,11-16H2,1H3,(H,23,26)
InChIKeyZSXLTIWZKNFWFN-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-4-nitrobenzamide
CID 16825826
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-phenoxyacetamide
CID 7188773
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-propylpentanamide
CID 41349364
4-butoxy-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42267156
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]cyclopropanecarboxamide
CID 7188764
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]propanamide
CID 42175473
4-ethoxy-N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide
CID 41234776
2-cyclopentyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 18565382
3-cyano-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]benzamide
CID 42175610
N-(4-ethoxyphenyl)-N-[(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
CID 1163510
2-ethoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 16812488
4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 41349917

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]benzamide?
The IUPAC name of 4-ethoxy-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]benzamide (CID 16825823) is 4-ethoxy-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]benzamide is CCOc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1.
What is the InChIKey of 4-ethoxy-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]benzamide?
The InChIKey is ZSXLTIWZKNFWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O4S/c1-2-29-18-9-7-17(8-10-18)21(26)23-11-16-30(27,28)25-14-12-24(13-15-25)20-6-4-3-5-19(20)22/h3-10H,2,11-16H2,1H3,(H,23,26).
What are the key properties of 4-ethoxy-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]benzamide?
4-ethoxy-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]benzamide has a molecular weight of 435.52 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]benzamide is sourced from PubChem (CID 16825823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).