2-[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide

C21H19F2N3O2S — CID 43017477

IUPAC2-[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(CN1CCN(C(=O)c2cc3c(F)cccc3s2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C21H19F2N3O2S/c22-14-4-6-15(7-5-14)24-20(27)13-25-8-10-26(11-9-25)21(28)19-12-16-17(23)2-1-3-18(16)29-19/h1-7,12H,8-11,13H2,(H,24,27)
InChIKeyULVAAWVMZYSPKM-UHFFFAOYSA-N
MW415.47 g/mol
LogP3.58
Rot. Bonds4

About 2-[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide

2-[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 43017477) has the molecular formula C21H19F2N3O2S and a molecular weight of 415.47 g/mol. Its IUPAC name is 2-[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
PubChem CID43017477
Molecular FormulaC21H19F2N3O2S
Molecular Weight415.47 g/mol
Exact Mass415.12
IUPAC Name2-[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(CN1CCN(C(=O)c2cc3c(F)cccc3s2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C21H19F2N3O2S/c22-14-4-6-15(7-5-14)24-20(27)13-25-8-10-26(11-9-25)21(28)19-12-16-17(23)2-1-3-18(16)29-19/h1-7,12H,8-11,13H2,(H,24,27)
InChIKeyULVAAWVMZYSPKM-UHFFFAOYSA-N
XLogP3.58
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 30292798
N-(2-chlorophenyl)-2-[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 43017589
N-(4-fluorophenyl)-2-[4-(3-iodobenzoyl)piperazin-1-yl]acetamide
CID 27849909
N-(4-fluorophenyl)-2-[4-(3-methylbenzoyl)piperazin-1-yl]acetamide
CID 27849975
N-(4-fluorophenyl)-2-[4-(4H-thieno[3,2-c]chromene-2-carbonyl)piperazin-1-yl]acetamide
CID 27849699
2-[4-(3-acetamidobenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9021927
N-(4-fluorophenyl)-2-[4-(2-hydroxybenzoyl)piperazin-1-yl]acetamide
CID 27849870
2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 27849985
N-(4-fluorophenyl)-2-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]acetamide
CID 17491366
N-(4-fluorophenyl)-2-[4-[2-(3-methylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9435872
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 36875625
N-(4-fluorophenyl)-2-[4-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 29166438

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide (CID 43017477) is 2-[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide is O=C(CN1CCN(C(=O)c2cc3c(F)cccc3s2)CC1)Nc1ccc(F)cc1.
What is the InChIKey of 2-[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is ULVAAWVMZYSPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O2S/c22-14-4-6-15(7-5-14)24-20(27)13-25-8-10-26(11-9-25)21(28)19-12-16-17(23)2-1-3-18(16)29-19/h1-7,12H,8-11,13H2,(H,24,27).
What are the key properties of 2-[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
2-[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 415.47 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 43017477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).