2-ethoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide

C20H26N4O4S — CID 25285081

IUPAC2-ethoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H26N4O4S/c1-2-28-18-8-4-3-7-17(18)20(25)22-11-16-29(26,27)24-14-12-23(13-15-24)19-9-5-6-10-21-19/h3-10H,2,11-16H2,1H3,(H,22,25)
InChIKeyVVVYPETWFHXNSD-UHFFFAOYSA-N
MW418.52 g/mol
LogP1.36
Rot. Bonds8

About 2-ethoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide

2-ethoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide (PubChem CID 25285081) has the molecular formula C20H26N4O4S and a molecular weight of 418.52 g/mol. Its IUPAC name is 2-ethoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide
PubChem CID25285081
Molecular FormulaC20H26N4O4S
Molecular Weight418.52 g/mol
Exact Mass418.17
IUPAC Name2-ethoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H26N4O4S/c1-2-28-18-8-4-3-7-17(18)20(25)22-11-16-29(26,27)24-14-12-23(13-15-24)19-9-5-6-10-21-19/h3-10H,2,11-16H2,1H3,(H,22,25)
InChIKeyVVVYPETWFHXNSD-UHFFFAOYSA-N
XLogP1.36
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide?
The IUPAC name of 2-ethoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide (CID 25285081) is 2-ethoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide is CCOc1ccccc1C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-ethoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide?
The InChIKey is VVVYPETWFHXNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4S/c1-2-28-18-8-4-3-7-17(18)20(25)22-11-16-29(26,27)24-14-12-23(13-15-24)19-9-5-6-10-21-19/h3-10H,2,11-16H2,1H3,(H,22,25).
What are the key properties of 2-ethoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide?
2-ethoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide has a molecular weight of 418.52 g/mol, XLogP of 1.36, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide is sourced from PubChem (CID 25285081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).