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

C21H28N4O4S — CID 55777397

IUPAC3-propoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide
SMILESCCCOc1cccc(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C21H28N4O4S/c1-2-15-29-19-7-5-6-18(17-19)21(26)23-10-16-30(27,28)25-13-11-24(12-14-25)20-8-3-4-9-22-20/h3-9,17H,2,10-16H2,1H3,(H,23,26)
InChIKeyHCHGLGFCCBDLPE-UHFFFAOYSA-N
MW432.55 g/mol
LogP1.75
Rot. Bonds9

About 3-propoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide

3-propoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide (PubChem CID 55777397) has the molecular formula C21H28N4O4S and a molecular weight of 432.55 g/mol. Its IUPAC name is 3-propoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide.

Molecular Properties

Compound Name3-propoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide
PubChem CID55777397
Molecular FormulaC21H28N4O4S
Molecular Weight432.55 g/mol
Exact Mass432.18
IUPAC Name3-propoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide
SMILESCCCOc1cccc(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C21H28N4O4S/c1-2-15-29-19-7-5-6-18(17-19)21(26)23-10-16-30(27,28)25-13-11-24(12-14-25)20-8-3-4-9-22-20/h3-9,17H,2,10-16H2,1H3,(H,23,26)
InChIKeyHCHGLGFCCBDLPE-UHFFFAOYSA-N
XLogP1.75
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-acetamido-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide
CID 47031694
4-methoxy-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42438917
3-chloro-4-ethoxy-5-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide
CID 46455832
2-(3,4-dichlorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide
CID 46456245
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
2-(3-methylphenoxy)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42439165
2-(2-ethoxyphenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide
CID 55838125
3-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]furan-2-carboxamide
CID 55692437
4-fluoro-N-[2-oxo-2-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethylamino]ethyl]benzamide
CID 46455798
2-ethyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]butanamide
CID 42438782
1-oxido-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]pyridin-1-ium-2-carboxamide
CID 60512015
N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42438737

Frequently Asked Questions

What is the IUPAC name of 3-propoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide?
The IUPAC name of 3-propoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide (CID 55777397) is 3-propoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide.
What is the SMILES notation for 3-propoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide?
The canonical SMILES for 3-propoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide is CCCOc1cccc(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)c1.
What is the InChIKey of 3-propoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide?
The InChIKey is HCHGLGFCCBDLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4S/c1-2-15-29-19-7-5-6-18(17-19)21(26)23-10-16-30(27,28)25-13-11-24(12-14-25)20-8-3-4-9-22-20/h3-9,17H,2,10-16H2,1H3,(H,23,26).
What are the key properties of 3-propoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide?
3-propoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide has a molecular weight of 432.55 g/mol, XLogP of 1.75, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide is sourced from PubChem (CID 55777397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).