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

C26H31N5O3S — CID 42439713

IUPAC3,3-diphenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)NCCCS(=O)(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C26H31N5O3S/c32-25(21-24(22-9-3-1-4-10-22)23-11-5-2-6-12-23)27-15-8-20-35(33,34)31-18-16-30(17-19-31)26-28-13-7-14-29-26/h1-7,9-14,24H,8,15-21H2,(H,27,32)
InChIKeyOPROGDHKCHIQLY-UHFFFAOYSA-N
MW493.63 g/mol
LogP2.66
Rot. Bonds10

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

3,3-diphenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide (PubChem CID 42439713) has the molecular formula C26H31N5O3S and a molecular weight of 493.63 g/mol. Its IUPAC name is 3,3-diphenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide.

Molecular Properties

Compound Name3,3-diphenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide
PubChem CID42439713
Molecular FormulaC26H31N5O3S
Molecular Weight493.63 g/mol
Exact Mass493.21
IUPAC Name3,3-diphenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)NCCCS(=O)(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C26H31N5O3S/c32-25(21-24(22-9-3-1-4-10-22)23-11-5-2-6-12-23)27-15-8-20-35(33,34)31-18-16-30(17-19-31)26-28-13-7-14-29-26/h1-7,9-14,24H,8,15-21H2,(H,27,32)
InChIKeyOPROGDHKCHIQLY-UHFFFAOYSA-N
XLogP2.66
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.63
LogP ≤ 52.66
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
3-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42440229
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-3,3-diphenylpropanamide
CID 42175427
2-(2-methoxyphenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42439652
4-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]butanamide
CID 25285439
2-(1H-indol-3-yl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42439707
N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42438737
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-3,3-diphenylpropanamide
CID 41349450
N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42175183
2-ethyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]butanamide
CID 42438782
2-cyclohexyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42438806
2-(4-chlorophenyl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42439212

Frequently Asked Questions

What is the IUPAC name of 3,3-diphenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide?
The IUPAC name of 3,3-diphenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide (CID 42439713) is 3,3-diphenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide.
What is the SMILES notation for 3,3-diphenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide?
The canonical SMILES for 3,3-diphenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide is O=C(CC(c1ccccc1)c1ccccc1)NCCCS(=O)(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 3,3-diphenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide?
The InChIKey is OPROGDHKCHIQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O3S/c32-25(21-24(22-9-3-1-4-10-22)23-11-5-2-6-12-23)27-15-8-20-35(33,34)31-18-16-30(17-19-31)26-28-13-7-14-29-26/h1-7,9-14,24H,8,15-21H2,(H,27,32).
What are the key properties of 3,3-diphenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide?
3,3-diphenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide has a molecular weight of 493.63 g/mol, XLogP of 2.66, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide is sourced from PubChem (CID 42439713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).