N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-2,2-dimethylpropanamide

C17H26FN3O3S — CID 29195944

IUPACN-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H26FN3O3S/c1-17(2,3)16(22)19-8-9-20-10-12-21(13-11-20)25(23,24)15-6-4-14(18)5-7-15/h4-7H,8-13H2,1-3H3,(H,19,22)
InChIKeyQMLXLKBQOSQUSX-UHFFFAOYSA-N
MW371.48 g/mol
LogP1.29
Rot. Bonds5

About N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-2,2-dimethylpropanamide

N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-2,2-dimethylpropanamide (PubChem CID 29195944) has the molecular formula C17H26FN3O3S and a molecular weight of 371.48 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-2,2-dimethylpropanamide
PubChem CID29195944
Molecular FormulaC17H26FN3O3S
Molecular Weight371.48 g/mol
Exact Mass371.17
IUPAC NameN-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H26FN3O3S/c1-17(2,3)16(22)19-8-9-20-10-12-21(13-11-20)25(23,24)15-6-4-14(18)5-7-15/h4-7H,8-13H2,1-3H3,(H,19,22)
InChIKeyQMLXLKBQOSQUSX-UHFFFAOYSA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2,2-dimethylpropanamide
CID 42266574
N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-4-phenylbenzamide
CID 29196125
2-(1,3-dioxoisoindol-2-yl)-N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]acetamide
CID 29196348
2-(4-chlorophenoxy)-N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]acetamide
CID 29196142
2,6-difluoro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride
CID 18571824
2-chloro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]acetamide
CID 29196399
N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3,3-dimethylbutanamide;hydrochloride
CID 18571712
N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-1-benzofuran-2-carboxamide
CID 29196259
N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 20933692
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 34999302
1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 4510553
2-ethyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]butanamide
CID 18571803

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-2,2-dimethylpropanamide (CID 29195944) is N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-2,2-dimethylpropanamide?
The InChIKey is QMLXLKBQOSQUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O3S/c1-17(2,3)16(22)19-8-9-20-10-12-21(13-11-20)25(23,24)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)sulfonylpiperazin-1-yl]ethyl]-2,2-dimethylpropanamide?
N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-2,2-dimethylpropanamide has a molecular weight of 371.48 g/mol, XLogP of 1.29, 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)sulfonylpiperazin-1-yl]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 29195944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).