3-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide

C20H27N5O3S — CID 42440229

IUPAC3-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide
SMILESO=C(CCc1ccccc1)NCCCS(=O)(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H27N5O3S/c26-19(9-8-18-6-2-1-3-7-18)21-12-5-17-29(27,28)25-15-13-24(14-16-25)20-22-10-4-11-23-20/h1-4,6-7,10-11H,5,8-9,12-17H2,(H,21,26)
InChIKeyUJRFOCZVWFAPTC-UHFFFAOYSA-N
MW417.54 g/mol
LogP1.07
Rot. Bonds9

About 3-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide

3-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide (PubChem CID 42440229) has the molecular formula C20H27N5O3S and a molecular weight of 417.54 g/mol. Its IUPAC name is 3-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide
PubChem CID42440229
Molecular FormulaC20H27N5O3S
Molecular Weight417.54 g/mol
Exact Mass417.18
IUPAC Name3-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide
SMILESO=C(CCc1ccccc1)NCCCS(=O)(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H27N5O3S/c26-19(9-8-18-6-2-1-3-7-18)21-12-5-17-29(27,28)25-15-13-24(14-16-25)20-22-10-4-11-23-20/h1-4,6-7,10-11H,5,8-9,12-17H2,(H,21,26)
InChIKeyUJRFOCZVWFAPTC-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42440195
4-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]butanamide
CID 25285439
3,3-diphenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42439713
2-(2-methoxyphenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42439652
N-(3-phenylpropyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 109030501
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-4-phenylbutanamide
CID 42175426
N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-3-phenylpropanamide
CID 110345257
2-(1H-indol-3-yl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42439707
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
N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42438737

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide?
The IUPAC name of 3-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide (CID 42440229) is 3-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide.
What is the SMILES notation for 3-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide?
The canonical SMILES for 3-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide is O=C(CCc1ccccc1)NCCCS(=O)(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 3-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide?
The InChIKey is UJRFOCZVWFAPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3S/c26-19(9-8-18-6-2-1-3-7-18)21-12-5-17-29(27,28)25-15-13-24(14-16-25)20-22-10-4-11-23-20/h1-4,6-7,10-11H,5,8-9,12-17H2,(H,21,26).
What are the key properties of 3-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide?
3-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide 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 3-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide is sourced from PubChem (CID 42440229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).