3,5-dimethoxy-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide

C19H25N5O5S — CID 25285333

IUPAC3,5-dimethoxy-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCCS(=O)(=O)N2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C19H25N5O5S/c1-28-16-12-15(13-17(14-16)29-2)18(25)20-6-11-30(26,27)24-9-7-23(8-10-24)19-21-4-3-5-22-19/h3-5,12-14H,6-11H2,1-2H3,(H,20,25)
InChIKeyNRONHXIBZMCFDZ-UHFFFAOYSA-N
MW435.51 g/mol
LogP0.38
Rot. Bonds8

About 3,5-dimethoxy-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide

3,5-dimethoxy-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide (PubChem CID 25285333) has the molecular formula C19H25N5O5S and a molecular weight of 435.51 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide
PubChem CID25285333
Molecular FormulaC19H25N5O5S
Molecular Weight435.51 g/mol
Exact Mass435.16
IUPAC Name3,5-dimethoxy-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCCS(=O)(=O)N2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C19H25N5O5S/c1-28-16-12-15(13-17(14-16)29-2)18(25)20-6-11-30(26,27)24-9-7-23(8-10-24)19-21-4-3-5-22-19/h3-5,12-14H,6-11H2,1-2H3,(H,20,25)
InChIKeyNRONHXIBZMCFDZ-UHFFFAOYSA-N
XLogP0.38
TPSA113.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide (CID 25285333) is 3,5-dimethoxy-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide is COc1cc(OC)cc(C(=O)NCCS(=O)(=O)N2CCN(c3ncccn3)CC2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide?
The InChIKey is NRONHXIBZMCFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O5S/c1-28-16-12-15(13-17(14-16)29-2)18(25)20-6-11-30(26,27)24-9-7-23(8-10-24)19-21-4-3-5-22-19/h3-5,12-14H,6-11H2,1-2H3,(H,20,25).
What are the key properties of 3,5-dimethoxy-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide?
3,5-dimethoxy-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide has a molecular weight of 435.51 g/mol, XLogP of 0.38, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide is sourced from PubChem (CID 25285333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).