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

C17H18FN3O2S — CID 2622886

IUPACN-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(NCC(=O)N1CCN(c2ccccc2F)CC1)c1cccs1
InChIInChI=1S/C17H18FN3O2S/c18-13-4-1-2-5-14(13)20-7-9-21(10-8-20)16(22)12-19-17(23)15-6-3-11-24-15/h1-6,11H,7-10,12H2,(H,19,23)
InChIKeyZJZYJILBLRPGEZ-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.97
Rot. Bonds4

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

N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 2622886) has the molecular formula C17H18FN3O2S and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID2622886
Molecular FormulaC17H18FN3O2S
Molecular Weight347.42 g/mol
Exact Mass347.11
IUPAC NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(NCC(=O)N1CCN(c2ccccc2F)CC1)c1cccs1
InChIInChI=1S/C17H18FN3O2S/c18-13-4-1-2-5-14(13)20-7-9-21(10-8-20)16(22)12-19-17(23)15-6-3-11-24-15/h1-6,11H,7-10,12H2,(H,19,23)
InChIKeyZJZYJILBLRPGEZ-UHFFFAOYSA-N
XLogP1.97
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-Difluorophenyl)-2-thiophenecarboxamide
CID 762625
N-(4-Fluorophenyl)-2-thiophenecarboxamide
CID 531923
Methanone, [4-(2-fluoro-4-nitrophenyl)-1-piperazinyl](2-thienyl)-
CID 544906
N-(3-fluoro-4-morpholinophenyl)-2-thiophenecarboxamide
CID 1485336
Piperazine, 1-phenyl-4-(2-thenoyl)-
CID 259478
2-Thiophenecarboxamide, N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-
CID 213545
Thiophene-2-carboxylic acid {4-[2-(4-phenyl-piperazin-1-yl)-ethyl]-cyclohexyl}-amide
CID 10596978
4-[[2-[Ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]acetyl]amino]benzamide
CID 4848136
N-(2-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965775
N-(3,5-dimethylphenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 9266840
1-{5-[(3-Anilino-1-piperidinyl)carbonyl]-2-thienyl}ethanone
CID 24791777
1-(2-Fluorophenyl)-4-[3-(2-thienyl)acryloyl]piperazine
CID 845054

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide (CID 2622886) is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide is O=C(NCC(=O)N1CCN(c2ccccc2F)CC1)c1cccs1.
What is the InChIKey of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is ZJZYJILBLRPGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2S/c18-13-4-1-2-5-14(13)20-7-9-21(10-8-20)16(22)12-19-17(23)15-6-3-11-24-15/h1-6,11H,7-10,12H2,(H,19,23).
What are the key properties of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 2622886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).