2-(4-chlorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide

C19H23ClN4O4S — CID 25285142

IUPAC2-(4-chlorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H23ClN4O4S/c20-16-4-6-17(7-5-16)28-15-19(25)22-9-14-29(26,27)24-12-10-23(11-13-24)18-3-1-2-8-21-18/h1-8H,9-15H2,(H,22,25)
InChIKeyZKUHCKJBEGZVTI-UHFFFAOYSA-N
MW438.94 g/mol
LogP1.38
Rot. Bonds8

About 2-(4-chlorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide

2-(4-chlorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide (PubChem CID 25285142) has the molecular formula C19H23ClN4O4S and a molecular weight of 438.94 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide
PubChem CID25285142
Molecular FormulaC19H23ClN4O4S
Molecular Weight438.94 g/mol
Exact Mass438.11
IUPAC Name2-(4-chlorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H23ClN4O4S/c20-16-4-6-17(7-5-16)28-15-19(25)22-9-14-29(26,27)24-12-10-23(11-13-24)18-3-1-2-8-21-18/h1-8H,9-15H2,(H,22,25)
InChIKeyZKUHCKJBEGZVTI-UHFFFAOYSA-N
XLogP1.38
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.94
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide (CID 25285142) is 2-(4-chlorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide is O=C(COc1ccc(Cl)cc1)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide?
The InChIKey is ZKUHCKJBEGZVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O4S/c20-16-4-6-17(7-5-16)28-15-19(25)22-9-14-29(26,27)24-12-10-23(11-13-24)18-3-1-2-8-21-18/h1-8H,9-15H2,(H,22,25).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide?
2-(4-chlorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide has a molecular weight of 438.94 g/mol, XLogP of 1.38, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide is sourced from PubChem (CID 25285142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).