N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-2-(4-phenylphenyl)acetamide

C27H30FN3O3S — CID 42175567

IUPACN-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-2-(4-phenylphenyl)acetamide
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)NCCCS(=O)(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C27H30FN3O3S/c28-25-9-4-5-10-26(25)30-16-18-31(19-17-30)35(33,34)20-6-15-29-27(32)21-22-11-13-24(14-12-22)23-7-2-1-3-8-23/h1-5,7-14H,6,15-21H2,(H,29,32)
InChIKeyYRCJUJPACNDCTK-UHFFFAOYSA-N
MW495.62 g/mol
LogP3.69
Rot. Bonds9

About N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-2-(4-phenylphenyl)acetamide

N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-2-(4-phenylphenyl)acetamide (PubChem CID 42175567) has the molecular formula C27H30FN3O3S and a molecular weight of 495.62 g/mol. Its IUPAC name is N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-2-(4-phenylphenyl)acetamide
PubChem CID42175567
Molecular FormulaC27H30FN3O3S
Molecular Weight495.62 g/mol
Exact Mass495.20
IUPAC NameN-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-2-(4-phenylphenyl)acetamide
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)NCCCS(=O)(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C27H30FN3O3S/c28-25-9-4-5-10-26(25)30-16-18-31(19-17-30)35(33,34)20-6-15-29-27(32)21-22-11-13-24(14-12-22)23-7-2-1-3-8-23/h1-5,7-14H,6,15-21H2,(H,29,32)
InChIKeyYRCJUJPACNDCTK-UHFFFAOYSA-N
XLogP3.69
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.62
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]propanamide
CID 42175473
2-(4-fluorophenyl)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42175274
2,5-dichloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]benzamide
CID 42175526
2-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42440195
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-phenoxyacetamide
CID 7188773
3-cyano-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]benzamide
CID 42175610
2-cyclopentyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 18565382
2-(4-chlorophenyl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42439212
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]cyclopropanecarboxamide
CID 7188764
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-propylpentanamide
CID 41349364
2-(4-fluorophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 42267208
2-(2-fluorophenoxy)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42175267

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-2-(4-phenylphenyl)acetamide (CID 42175567) is N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-2-(4-phenylphenyl)acetamide is O=C(Cc1ccc(-c2ccccc2)cc1)NCCCS(=O)(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-2-(4-phenylphenyl)acetamide?
The InChIKey is YRCJUJPACNDCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN3O3S/c28-25-9-4-5-10-26(25)30-16-18-31(19-17-30)35(33,34)20-6-15-29-27(32)21-22-11-13-24(14-12-22)23-7-2-1-3-8-23/h1-5,7-14H,6,15-21H2,(H,29,32).
What are the key properties of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-2-(4-phenylphenyl)acetamide?
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-2-(4-phenylphenyl)acetamide has a molecular weight of 495.62 g/mol, XLogP of 3.69, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 42175567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).