N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-4-phenylbutanamide

C23H30FN3O3S — CID 42175426

IUPACN-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)NCCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H30FN3O3S/c24-21-10-12-22(13-11-21)26-15-17-27(18-16-26)31(29,30)19-5-14-25-23(28)9-4-8-20-6-2-1-3-7-20/h1-3,6-7,10-13H,4-5,8-9,14-19H2,(H,25,28)
InChIKeyYOMMYLCOKKGTGJ-UHFFFAOYSA-N
MW447.58 g/mol
LogP2.81
Rot. Bonds10

About N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-4-phenylbutanamide

N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-4-phenylbutanamide (PubChem CID 42175426) has the molecular formula C23H30FN3O3S and a molecular weight of 447.58 g/mol. Its IUPAC name is N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-4-phenylbutanamide
PubChem CID42175426
Molecular FormulaC23H30FN3O3S
Molecular Weight447.58 g/mol
Exact Mass447.20
IUPAC NameN-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)NCCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H30FN3O3S/c24-21-10-12-22(13-11-21)26-15-17-27(18-16-26)31(29,30)19-5-14-25-23(28)9-4-8-20-6-2-1-3-7-20/h1-3,6-7,10-13H,4-5,8-9,14-19H2,(H,25,28)
InChIKeyYOMMYLCOKKGTGJ-UHFFFAOYSA-N
XLogP2.81
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 52.81
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

2-(4-fluorophenyl)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42175274
N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-4-phenylbutanamide
CID 42175850
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-3,3-diphenylpropanamide
CID 42175427
4-fluoro-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42175227
4-phenyl-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]butanamide
CID 41349663
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-2-naphthalen-2-yloxyacetamide
CID 42175402
2-(2-fluorophenoxy)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42175267
3-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42440229
4-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]butanamide
CID 25285439
4-(4-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 84526356
N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42175183
3-cyclohexyl-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42175197

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-4-phenylbutanamide?
The IUPAC name of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-4-phenylbutanamide (CID 42175426) is N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-4-phenylbutanamide.
What is the SMILES notation for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-4-phenylbutanamide?
The canonical SMILES for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-4-phenylbutanamide is O=C(CCCc1ccccc1)NCCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-4-phenylbutanamide?
The InChIKey is YOMMYLCOKKGTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O3S/c24-21-10-12-22(13-11-21)26-15-17-27(18-16-26)31(29,30)19-5-14-25-23(28)9-4-8-20-6-2-1-3-7-20/h1-3,6-7,10-13H,4-5,8-9,14-19H2,(H,25,28).
What are the key properties of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-4-phenylbutanamide?
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-4-phenylbutanamide has a molecular weight of 447.58 g/mol, XLogP of 2.81, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-4-phenylbutanamide is sourced from PubChem (CID 42175426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).