N-[4-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]acetamide

C21H24FN5O3S — CID 53072053

IUPACN-[4-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN=C2N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C21H24FN5O3S/c1-16(28)24-18-4-8-20(9-5-18)31(29,30)27-11-10-23-21(27)26-14-12-25(13-15-26)19-6-2-17(22)3-7-19/h2-9H,10-15H2,1H3,(H,24,28)
InChIKeyUKDARYCHAXDRQU-UHFFFAOYSA-N
MW445.52 g/mol
LogP1.97
Rot. Bonds4

About N-[4-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]acetamide

N-[4-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]acetamide (PubChem CID 53072053) has the molecular formula C21H24FN5O3S and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[4-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]acetamide
PubChem CID53072053
Molecular FormulaC21H24FN5O3S
Molecular Weight445.52 g/mol
Exact Mass445.16
IUPAC NameN-[4-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN=C2N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C21H24FN5O3S/c1-16(28)24-18-4-8-20(9-5-18)31(29,30)27-11-10-23-21(27)26-14-12-25(13-15-26)19-6-2-17(22)3-7-19/h2-9H,10-15H2,1H3,(H,24,28)
InChIKeyUKDARYCHAXDRQU-UHFFFAOYSA-N
XLogP1.97
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(2,5-dimethoxyphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-(4-fluorophenyl)piperazine
CID 53006689
N-[4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]phenyl]acetamide
CID 5041262
4-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]sulfonyl]-2,1,3-benzothiadiazole
CID 53006688
N-[4-[[4-(4-methylsulfonylphenyl)-1,4-diazepan-1-yl]sulfonyl]phenyl]acetamide
CID 4690747
N-[4-(4-fluorophenyl)sulfonylphenyl]acetamide
CID 3080572
N-[4-[4-(4-fluorophenyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide
CID 4150837
N-[4-(4-acetylpiperazin-1-yl)phenyl]acetamide
CID 2889550
N-[4-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]sulfonylphenyl]acetamide
CID 90593215
N-[4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 2902107
2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-N-(4-sulfamoylphenyl)acetamide
CID 108508662
N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 56762711
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 99130813

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]acetamide?
The IUPAC name of N-[4-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]acetamide (CID 53072053) is N-[4-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCN=C2N2CCN(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N-[4-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]acetamide?
The InChIKey is UKDARYCHAXDRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O3S/c1-16(28)24-18-4-8-20(9-5-18)31(29,30)27-11-10-23-21(27)26-14-12-25(13-15-26)19-6-2-17(22)3-7-19/h2-9H,10-15H2,1H3,(H,24,28).
What are the key properties of N-[4-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]acetamide?
N-[4-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]acetamide has a molecular weight of 445.52 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]acetamide is sourced from PubChem (CID 53072053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).