N-[4-[4-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-4-oxobutyl]thiophene-3-carboxamide

C24H26FN3O2S2 — CID 37399748

IUPACN-[4-[4-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-4-oxobutyl]thiophene-3-carboxamide
SMILESO=C(NCCCC(=O)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1)c1ccsc1
InChIInChI=1S/C24H26FN3O2S2/c25-20-4-1-3-18(15-20)22-7-6-21(32-22)16-27-10-12-28(13-11-27)23(29)5-2-9-26-24(30)19-8-14-31-17-19/h1,3-4,6-8,14-15,17H,2,5,9-13,16H2,(H,26,30)
InChIKeyZQWZTWNBZOPHBD-UHFFFAOYSA-N
MW471.62 g/mol
LogP4.47
Rot. Bonds8

About N-[4-[4-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-4-oxobutyl]thiophene-3-carboxamide

N-[4-[4-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-4-oxobutyl]thiophene-3-carboxamide (PubChem CID 37399748) has the molecular formula C24H26FN3O2S2 and a molecular weight of 471.62 g/mol. Its IUPAC name is N-[4-[4-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-4-oxobutyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-[4-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-4-oxobutyl]thiophene-3-carboxamide
PubChem CID37399748
Molecular FormulaC24H26FN3O2S2
Molecular Weight471.62 g/mol
Exact Mass471.15
IUPAC NameN-[4-[4-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-4-oxobutyl]thiophene-3-carboxamide
SMILESO=C(NCCCC(=O)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1)c1ccsc1
InChIInChI=1S/C24H26FN3O2S2/c25-20-4-1-3-18(15-20)22-7-6-21(32-22)16-27-10-12-28(13-11-27)23(29)5-2-9-26-24(30)19-8-14-31-17-19/h1,3-4,6-8,14-15,17H,2,5,9-13,16H2,(H,26,30)
InChIKeyZQWZTWNBZOPHBD-UHFFFAOYSA-N
XLogP4.47
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.62
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120703642
[4-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 37399827
N-[4-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-4-oxobutyl]thiophene-3-carboxamide
CID 39586077
[4-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 37399738
N-[4-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-4-oxobutyl]thiophene-3-carboxamide
CID 46413247
[4-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-[3-(methoxymethyl)phenyl]methanone
CID 37399745
N-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-oxobutyl]thiophene-3-carboxamide
CID 36512324
N-[4-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-4-oxobutyl]thiophene-3-carboxamide
CID 30485429
1-[5-[4-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazine-1-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 37399706
(2,5-dimethylpyrazol-3-yl)-[4-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]methanone
CID 55872742
4-tert-butyl-N-[3-oxo-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propyl]benzamide
CID 9181013
[4-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone
CID 37399862

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-4-oxobutyl]thiophene-3-carboxamide?
The IUPAC name of N-[4-[4-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-4-oxobutyl]thiophene-3-carboxamide (CID 37399748) is N-[4-[4-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-4-oxobutyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[4-[4-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-4-oxobutyl]thiophene-3-carboxamide?
The canonical SMILES for N-[4-[4-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-4-oxobutyl]thiophene-3-carboxamide is O=C(NCCCC(=O)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1)c1ccsc1.
What is the InChIKey of N-[4-[4-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-4-oxobutyl]thiophene-3-carboxamide?
The InChIKey is ZQWZTWNBZOPHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O2S2/c25-20-4-1-3-18(15-20)22-7-6-21(32-22)16-27-10-12-28(13-11-27)23(29)5-2-9-26-24(30)19-8-14-31-17-19/h1,3-4,6-8,14-15,17H,2,5,9-13,16H2,(H,26,30).
What are the key properties of N-[4-[4-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-4-oxobutyl]thiophene-3-carboxamide?
N-[4-[4-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-4-oxobutyl]thiophene-3-carboxamide has a molecular weight of 471.62 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-4-oxobutyl]thiophene-3-carboxamide is sourced from PubChem (CID 37399748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).