2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide

C18H19FN4O3S — CID 36875697

IUPAC2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)CN1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H19FN4O3S/c19-13-3-1-12(2-4-13)18(26)23-8-6-22(7-9-23)11-15(24)21-17-14(16(20)25)5-10-27-17/h1-5,10H,6-9,11H2,(H2,20,25)(H,21,24)
InChIKeyARCMZJGDKVIBDD-UHFFFAOYSA-N
MW390.44 g/mol
LogP1.38
Rot. Bonds5

About 2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide

2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide (PubChem CID 36875697) has the molecular formula C18H19FN4O3S and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide
PubChem CID36875697
Molecular FormulaC18H19FN4O3S
Molecular Weight390.44 g/mol
Exact Mass390.12
IUPAC Name2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)CN1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H19FN4O3S/c19-13-3-1-12(2-4-13)18(26)23-8-6-22(7-9-23)11-15(24)21-17-14(16(20)25)5-10-27-17/h1-5,10H,6-9,11H2,(H2,20,25)(H,21,24)
InChIKeyARCMZJGDKVIBDD-UHFFFAOYSA-N
XLogP1.38
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]benzamide
CID 36877900
2-[[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide
CID 9362622
2-[(2-piperidin-1-ylacetyl)amino]thiophene-3-carboxamide
CID 8894856
2-[[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide
CID 27156572
2-[[2-(3-aminoazetidin-1-yl)acetyl]amino]thiophene-3-carboxamide
CID 65249970
2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)benzamide
CID 36876914
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
CID 110358942
2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]thiophene-3-carboxamide
CID 8897472
2-[[2-[(2S)-2-methylmorpholin-4-yl]acetyl]amino]thiophene-3-carboxamide
CID 30238407
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 36875625
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 110709736
methyl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetate
CID 60732940

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide (CID 36875697) is 2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide is NC(=O)c1ccsc1NC(=O)CN1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide?
The InChIKey is ARCMZJGDKVIBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O3S/c19-13-3-1-12(2-4-13)18(26)23-8-6-22(7-9-23)11-15(24)21-17-14(16(20)25)5-10-27-17/h1-5,10H,6-9,11H2,(H2,20,25)(H,21,24).
What are the key properties of 2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide?
2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 36875697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).