N-[2-(4-fluorophenyl)ethyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide

C23H30FN3O3S — CID 35096313

IUPACN-[2-(4-fluorophenyl)ethyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(CC(=O)NCCc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C23H30FN3O3S/c1-18(2)20-5-9-22(10-6-20)31(29,30)27-15-13-26(14-16-27)17-23(28)25-12-11-19-3-7-21(24)8-4-19/h3-10,18H,11-17H2,1-2H3,(H,25,28)
InChIKeyYKCFELGLQXRVFI-UHFFFAOYSA-N
MW447.58 g/mol
LogP2.61
Rot. Bonds8

About N-[2-(4-fluorophenyl)ethyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide

N-[2-(4-fluorophenyl)ethyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 35096313) has the molecular formula C23H30FN3O3S and a molecular weight of 447.58 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
PubChem CID35096313
Molecular FormulaC23H30FN3O3S
Molecular Weight447.58 g/mol
Exact Mass447.20
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(CC(=O)NCCc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C23H30FN3O3S/c1-18(2)20-5-9-22(10-6-20)31(29,30)27-15-13-26(14-16-27)17-23(28)25-12-11-19-3-7-21(24)8-4-19/h3-10,18H,11-17H2,1-2H3,(H,25,28)
InChIKeyYKCFELGLQXRVFI-UHFFFAOYSA-N
XLogP2.61
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-fluorophenyl)ethyl]-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 113074289
N-[2-(4-fluorophenyl)ethyl]-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 31372732
2-[[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-methylacetamide
CID 8688551
2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-prop-2-ynylacetamide
CID 8688477
N-(3-fluoro-4-methylphenyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 4244458
N-(propan-2-ylcarbamoyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8796879
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 26574095
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2109300
2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-butylacetamide
CID 55354283
2-(azepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 644372
2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 55354672
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 5206655

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide (CID 35096313) is N-[2-(4-fluorophenyl)ethyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide is CC(C)c1ccc(S(=O)(=O)N2CCN(CC(=O)NCCc3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is YKCFELGLQXRVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O3S/c1-18(2)20-5-9-22(10-6-20)31(29,30)27-15-13-26(14-16-27)17-23(28)25-12-11-19-3-7-21(24)8-4-19/h3-10,18H,11-17H2,1-2H3,(H,25,28).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide?
N-[2-(4-fluorophenyl)ethyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 447.58 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 35096313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).