N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-thiophen-2-ylacetamide

C18H22FN3O3S2 — CID 18565393

IUPACN-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H22FN3O3S2/c19-16-5-1-2-6-17(16)21-8-10-22(11-9-21)27(24,25)13-7-20-18(23)14-15-4-3-12-26-15/h1-6,12H,7-11,13-14H2,(H,20,23)
InChIKeyGTZROQNNFBIKID-UHFFFAOYSA-N
MW411.52 g/mol
LogP1.70
Rot. Bonds7

About N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-thiophen-2-ylacetamide

N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-thiophen-2-ylacetamide (PubChem CID 18565393) has the molecular formula C18H22FN3O3S2 and a molecular weight of 411.52 g/mol. Its IUPAC name is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-thiophen-2-ylacetamide
PubChem CID18565393
Molecular FormulaC18H22FN3O3S2
Molecular Weight411.52 g/mol
Exact Mass411.11
IUPAC NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H22FN3O3S2/c19-16-5-1-2-6-17(16)21-8-10-22(11-9-21)27(24,25)13-7-20-18(23)14-15-4-3-12-26-15/h1-6,12H,7-11,13-14H2,(H,20,23)
InChIKeyGTZROQNNFBIKID-UHFFFAOYSA-N
XLogP1.70
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-sulfamoylphenyl)-2-(thiophen-2-yl)acetamide
CID 670143
N-(2-Fluoro-4-Sulfamoylphenyl)-2-(Thiophen-2-Yl)acetamide
CID 44520897
(2S)-4-(2-chloroacetyl)-N-(4-fluorophenyl)-1-thiophen-3-ylsulfonylpiperazine-2-carboxamide
CID 169423205
(4-Phenylpiperazin-1-yl)(1-(thiophen-2-ylsulfonyl)piperidin-4-yl)methanone
CID 1190372
N-(3-fluorophenyl)-4-(4-morpholinylsulfonyl)-2-thiophenecarboxamide
CID 1238883
N-(4-fluorophenyl)-1-(thiophene-2-sulfonyl)piperidine-4-carboxamide
CID 2053794
N-[2-(4-phenylpiperazin-1-yl)ethyl]-1-(thien-2-ylsulfonyl)piperidine-4-carboxamide
CID 3236695
N-{4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl}thiophene-2-sulfonamide
CID 3237909
N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-1-(thien-2-ylsulfonyl)piperidine-4-carboxamide
CID 3238380
N~1~-(2-fluorophenyl)-N~3~-(thien-2-ylsulfonyl)-beta-alaninamide
CID 3244623
N-[[4-[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]cyclohexyl]methyl]-2-thiophenesulfonamide
CID 3640175
N-[4-(dipropylsulfamoyl)phenyl]-2-thiophen-2-ylacetamide
CID 2931351

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-thiophen-2-ylacetamide (CID 18565393) is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-thiophen-2-ylacetamide?
The InChIKey is GTZROQNNFBIKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3S2/c19-16-5-1-2-6-17(16)21-8-10-22(11-9-21)27(24,25)13-7-20-18(23)14-15-4-3-12-26-15/h1-6,12H,7-11,13-14H2,(H,20,23).
What are the key properties of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-thiophen-2-ylacetamide?
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-thiophen-2-ylacetamide has a molecular weight of 411.52 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 18565393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).