4-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]butanamide

C20H27N5O3S — CID 25285439

IUPAC4-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]butanamide
SMILESO=C(CCCc1ccccc1)NCCS(=O)(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H27N5O3S/c26-19(9-4-8-18-6-2-1-3-7-18)21-12-17-29(27,28)25-15-13-24(14-16-25)20-22-10-5-11-23-20/h1-3,5-7,10-11H,4,8-9,12-17H2,(H,21,26)
InChIKeyVGQBAAZYDWCQFS-UHFFFAOYSA-N
MW417.54 g/mol
LogP1.07
Rot. Bonds9

About 4-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]butanamide

4-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]butanamide (PubChem CID 25285439) has the molecular formula C20H27N5O3S and a molecular weight of 417.54 g/mol. Its IUPAC name is 4-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]butanamide.

Molecular Properties

Compound Name4-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]butanamide
PubChem CID25285439
Molecular FormulaC20H27N5O3S
Molecular Weight417.54 g/mol
Exact Mass417.18
IUPAC Name4-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]butanamide
SMILESO=C(CCCc1ccccc1)NCCS(=O)(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H27N5O3S/c26-19(9-4-8-18-6-2-1-3-7-18)21-12-17-29(27,28)25-15-13-24(14-16-25)20-22-10-5-11-23-20/h1-3,5-7,10-11H,4,8-9,12-17H2,(H,21,26)
InChIKeyVGQBAAZYDWCQFS-UHFFFAOYSA-N
XLogP1.07
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.54
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42440229
2-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42440195
N-(3-phenylpropyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 109030501
4-phenyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]butanamide
CID 41349663
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-4-phenylbutanamide
CID 42175426
3,3-diphenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42439713
N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-3-phenylpropanamide
CID 110345257
N-[2-(azepan-1-ylsulfonyl)ethyl]-3-phenylpropanamide
CID 110346023
N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-4-phenylbutanamide
CID 42175850
3-(4-methylpiperazin-1-yl)sulfonyl-N-(3-phenylpropyl)propanamide
CID 110343189
2-(2-methoxyphenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42439652
N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]-1-benzofuran-2-carboxamide
CID 25285444

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]butanamide?
The IUPAC name of 4-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]butanamide (CID 25285439) is 4-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]butanamide.
What is the SMILES notation for 4-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]butanamide?
The canonical SMILES for 4-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]butanamide is O=C(CCCc1ccccc1)NCCS(=O)(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 4-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]butanamide?
The InChIKey is VGQBAAZYDWCQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3S/c26-19(9-4-8-18-6-2-1-3-7-18)21-12-17-29(27,28)25-15-13-24(14-16-25)20-22-10-5-11-23-20/h1-3,5-7,10-11H,4,8-9,12-17H2,(H,21,26).
What are the key properties of 4-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]butanamide?
4-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]butanamide has a molecular weight of 417.54 g/mol, XLogP of 1.07, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]butanamide is sourced from PubChem (CID 25285439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).