2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide

C18H22FN3O3S2 — CID 8749332

IUPAC2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
SMILESC[C@H](NC(=O)CN1CCN(S(=O)(=O)c2ccccc2F)CC1)c1cccs1
InChIInChI=1S/C18H22FN3O3S2/c1-14(16-6-4-12-26-16)20-18(23)13-21-8-10-22(11-9-21)27(24,25)17-7-3-2-5-15(17)19/h2-7,12,14H,8-11,13H2,1H3,(H,20,23)/t14-/m0/s1
InChIKeyUTUHRTXEULLOJM-AWEZNQCLSA-N
MW411.52 g/mol
LogP2.07
Rot. Bonds6

About 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide

2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide (PubChem CID 8749332) has the molecular formula C18H22FN3O3S2 and a molecular weight of 411.52 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
PubChem CID8749332
Molecular FormulaC18H22FN3O3S2
Molecular Weight411.52 g/mol
Exact Mass411.11
IUPAC Name2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
SMILESC[C@H](NC(=O)CN1CCN(S(=O)(=O)c2ccccc2F)CC1)c1cccs1
InChIInChI=1S/C18H22FN3O3S2/c1-14(16-6-4-12-26-16)20-18(23)13-21-8-10-22(11-9-21)27(24,25)17-7-3-2-5-15(17)19/h2-7,12,14H,8-11,13H2,1H3,(H,20,23)/t14-/m0/s1
InChIKeyUTUHRTXEULLOJM-AWEZNQCLSA-N
XLogP2.07
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 55353743
N-[1-(4-bromophenyl)ethyl]-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 55353744
N-butan-2-yl-2-[4-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperazin-1-yl]acetamide
CID 134045399
N-(2,6-dichlorophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 3910808
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 55411010
methyl N-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]carbamate
CID 8749312
2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 17487495
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-phenylacetamide
CID 8749460
2-(4-benzoylpiperazin-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 9223416
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 17448409
(2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 9493517
2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
CID 41119670

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide?
The IUPAC name of 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide (CID 8749332) is 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide?
The canonical SMILES for 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide is C[C@H](NC(=O)CN1CCN(S(=O)(=O)c2ccccc2F)CC1)c1cccs1.
What is the InChIKey of 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide?
The InChIKey is UTUHRTXEULLOJM-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22FN3O3S2/c1-14(16-6-4-12-26-16)20-18(23)13-21-8-10-22(11-9-21)27(24,25)17-7-3-2-5-15(17)19/h2-7,12,14H,8-11,13H2,1H3,(H,20,23)/t14-/m0/s1.
What are the key properties of 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide?
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide has a molecular weight of 411.52 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 8749332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).