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

C19H25N5O3S — CID 42440195

IUPAC2-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
SMILESO=C(Cc1ccccc1)NCCCS(=O)(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H25N5O3S/c25-18(16-17-6-2-1-3-7-17)20-10-5-15-28(26,27)24-13-11-23(12-14-24)19-21-8-4-9-22-19/h1-4,6-9H,5,10-16H2,(H,20,25)
InChIKeyXWVRMVJIDHXGIT-UHFFFAOYSA-N
MW403.51 g/mol
LogP0.68
Rot. Bonds8

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

2-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide (PubChem CID 42440195) has the molecular formula C19H25N5O3S and a molecular weight of 403.51 g/mol. Its IUPAC name is 2-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
PubChem CID42440195
Molecular FormulaC19H25N5O3S
Molecular Weight403.51 g/mol
Exact Mass403.17
IUPAC Name2-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
SMILESO=C(Cc1ccccc1)NCCCS(=O)(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H25N5O3S/c25-18(16-17-6-2-1-3-7-17)20-10-5-15-28(26,27)24-13-11-23(12-14-24)19-21-8-4-9-22-19/h1-4,6-9H,5,10-16H2,(H,20,25)
InChIKeyXWVRMVJIDHXGIT-UHFFFAOYSA-N
XLogP0.68
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 50.68
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

3-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42440229
3,3-diphenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42439713
2-(1H-indol-3-yl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42439707
4-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]butanamide
CID 25285439
2-(4-chlorophenyl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42439212
2-(2-methoxyphenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42439652
2-(4-fluorophenyl)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42175274
N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42438737
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-2-(4-phenylphenyl)acetamide
CID 42175567
N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-2-phenylacetamide
CID 110345252
N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42175183
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-phenylacetamide
CID 9243504

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide?
The IUPAC name of 2-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide (CID 42440195) is 2-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide.
What is the SMILES notation for 2-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide?
The canonical SMILES for 2-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide is O=C(Cc1ccccc1)NCCCS(=O)(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide?
The InChIKey is XWVRMVJIDHXGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3S/c25-18(16-17-6-2-1-3-7-17)20-10-5-15-28(26,27)24-13-11-23(12-14-24)19-21-8-4-9-22-19/h1-4,6-9H,5,10-16H2,(H,20,25).
What are the key properties of 2-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide?
2-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide has a molecular weight of 403.51 g/mol, XLogP of 0.68, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide is sourced from PubChem (CID 42440195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).