N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2,2-dimethylpropanamide

C17H26FN3O3S — CID 18565403

IUPACN-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H26FN3O3S/c1-17(2,3)16(22)19-8-13-25(23,24)21-11-9-20(10-12-21)15-6-4-14(18)5-7-15/h4-7H,8-13H2,1-3H3,(H,19,22)
InChIKeyKJWMMIUGMNMKGA-UHFFFAOYSA-N
MW371.48 g/mol
LogP1.44
Rot. Bonds5

About N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2,2-dimethylpropanamide

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2,2-dimethylpropanamide (PubChem CID 18565403) has the molecular formula C17H26FN3O3S and a molecular weight of 371.48 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2,2-dimethylpropanamide
PubChem CID18565403
Molecular FormulaC17H26FN3O3S
Molecular Weight371.48 g/mol
Exact Mass371.17
IUPAC NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H26FN3O3S/c1-17(2,3)16(22)19-8-13-25(23,24)21-11-9-20(10-12-21)15-6-4-14(18)5-7-15/h4-7H,8-13H2,1-3H3,(H,19,22)
InChIKeyKJWMMIUGMNMKGA-UHFFFAOYSA-N
XLogP1.44
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]propanamide
CID 16801509
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2,2-dimethylpropanamide
CID 42266574
2-(4-fluorophenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 18565428
2,2-dimethyl-N-(2-pyrrolidin-1-ylsulfonylethyl)propanamide
CID 110345330
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-4-methyl-3-nitrobenzamide
CID 27536947
5-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-methoxybenzamide
CID 22578842
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-nitrobenzamide
CID 16825838
(3R)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40775758
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-3,4-dimethylbenzamide
CID 42175355
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]propanamide
CID 41349860
2-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 41349884
N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-2,2-dimethylpropanamide
CID 29195944

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2,2-dimethylpropanamide (CID 18565403) is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2,2-dimethylpropanamide?
The InChIKey is KJWMMIUGMNMKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O3S/c1-17(2,3)16(22)19-8-13-25(23,24)21-11-9-20(10-12-21)15-6-4-14(18)5-7-15/h4-7H,8-13H2,1-3H3,(H,19,22).
What are the key properties of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2,2-dimethylpropanamide?
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2,2-dimethylpropanamide has a molecular weight of 371.48 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 18565403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).