N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]thiophene-2-carboxamide

C17H20FN3O3S2 — CID 7188775

IUPACN-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]thiophene-2-carboxamide
SMILESO=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cccs1
InChIInChI=1S/C17H20FN3O3S2/c18-14-4-1-2-5-15(14)20-8-10-21(11-9-20)26(23,24)13-7-19-17(22)16-6-3-12-25-16/h1-6,12H,7-11,13H2,(H,19,22)
InChIKeyZQAPQXCFXGVYKZ-UHFFFAOYSA-N
MW397.50 g/mol
LogP1.77
Rot. Bonds6

About N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]thiophene-2-carboxamide

N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]thiophene-2-carboxamide (PubChem CID 7188775) has the molecular formula C17H20FN3O3S2 and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]thiophene-2-carboxamide
PubChem CID7188775
Molecular FormulaC17H20FN3O3S2
Molecular Weight397.50 g/mol
Exact Mass397.09
IUPAC NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]thiophene-2-carboxamide
SMILESO=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cccs1
InChIInChI=1S/C17H20FN3O3S2/c18-14-4-1-2-5-15(14)20-8-10-21(11-9-20)26(23,24)13-7-19-17(22)16-6-3-12-25-16/h1-6,12H,7-11,13H2,(H,19,22)
InChIKeyZQAPQXCFXGVYKZ-UHFFFAOYSA-N
XLogP1.77
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluoro-4-morpholinophenyl)-2-thiophenecarboxamide
CID 1485336
Piperazine, 1-phenyl-4-(2-thenoyl)-
CID 259478
N-(4-sulfamoylphenyl)thiophene-2-carboxamide
CID 687455
Thiophene-2-carboxylic acid {4-[2-(4-phenyl-piperazin-1-yl)-ethyl]-cyclohexyl}-amide
CID 10596978
N-[4-(butylsulfamoyl)phenyl]thiophene-2-carboxamide
CID 2188561
1-{5-[(3-Anilino-1-piperidinyl)carbonyl]-2-thienyl}ethanone
CID 24791777
1-(2-Fluorophenyl)-4-[3-(2-thienyl)acryloyl]piperazine
CID 845054
N-(3-fluorophenyl)-4-(morpholin-4-ylsulfonyl)thiophene-2-carboxamide
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-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-1-(thien-2-ylsulfonyl)piperidine-4-carboxamide
CID 3238380
N-[[4-[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]cyclohexyl]methyl]-2-thiophenesulfonamide
CID 3640175

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]thiophene-2-carboxamide (CID 7188775) is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]thiophene-2-carboxamide is O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cccs1.
What is the InChIKey of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]thiophene-2-carboxamide?
The InChIKey is ZQAPQXCFXGVYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3S2/c18-14-4-1-2-5-15(14)20-8-10-21(11-9-20)26(23,24)13-7-19-17(22)16-6-3-12-25-16/h1-6,12H,7-11,13H2,(H,19,22).
What are the key properties of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]thiophene-2-carboxamide?
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]thiophene-2-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 1.77, 6 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]thiophene-2-carboxamide is sourced from PubChem (CID 7188775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).