2-cyclopentyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide

C17H27N5O3S — CID 25285295

IUPAC2-cyclopentyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide
SMILESO=C(CC1CCCC1)NCCS(=O)(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H27N5O3S/c23-16(14-15-4-1-2-5-15)18-8-13-26(24,25)22-11-9-21(10-12-22)17-19-6-3-7-20-17/h3,6-7,15H,1-2,4-5,8-14H2,(H,18,23)
InChIKeyALNFNGVAIZNZKK-UHFFFAOYSA-N
MW381.50 g/mol
LogP0.62
Rot. Bonds7

About 2-cyclopentyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide

2-cyclopentyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide (PubChem CID 25285295) has the molecular formula C17H27N5O3S and a molecular weight of 381.50 g/mol. Its IUPAC name is 2-cyclopentyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide
PubChem CID25285295
Molecular FormulaC17H27N5O3S
Molecular Weight381.50 g/mol
Exact Mass381.18
IUPAC Name2-cyclopentyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide
SMILESO=C(CC1CCCC1)NCCS(=O)(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H27N5O3S/c23-16(14-15-4-1-2-5-15)18-8-13-26(24,25)22-11-9-21(10-12-22)17-19-6-3-7-20-17/h3,6-7,15H,1-2,4-5,8-14H2,(H,18,23)
InChIKeyALNFNGVAIZNZKK-UHFFFAOYSA-N
XLogP0.62
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide (CID 25285295) is 2-cyclopentyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide is O=C(CC1CCCC1)NCCS(=O)(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-cyclopentyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide?
The InChIKey is ALNFNGVAIZNZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3S/c23-16(14-15-4-1-2-5-15)18-8-13-26(24,25)22-11-9-21(10-12-22)17-19-6-3-7-20-17/h3,6-7,15H,1-2,4-5,8-14H2,(H,18,23).
What are the key properties of 2-cyclopentyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide?
2-cyclopentyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide has a molecular weight of 381.50 g/mol, XLogP of 0.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide is sourced from PubChem (CID 25285295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).