4-(4-fluorophenyl)-4-oxo-N-(1-thiophen-2-ylpropan-2-yl)butanamide

C17H18FNO2S — CID 86930480

IUPAC4-(4-fluorophenyl)-4-oxo-N-(1-thiophen-2-ylpropan-2-yl)butanamide
SMILESCC(Cc1cccs1)NC(=O)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H18FNO2S/c1-12(11-15-3-2-10-22-15)19-17(21)9-8-16(20)13-4-6-14(18)7-5-13/h2-7,10,12H,8-9,11H2,1H3,(H,19,21)
InChIKeyVIYBMNMAUPBJMP-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.60
Rot. Bonds7

About 4-(4-fluorophenyl)-4-oxo-N-(1-thiophen-2-ylpropan-2-yl)butanamide

4-(4-fluorophenyl)-4-oxo-N-(1-thiophen-2-ylpropan-2-yl)butanamide (PubChem CID 86930480) has the molecular formula C17H18FNO2S and a molecular weight of 319.40 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-4-oxo-N-(1-thiophen-2-ylpropan-2-yl)butanamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-4-oxo-N-(1-thiophen-2-ylpropan-2-yl)butanamide
PubChem CID86930480
Molecular FormulaC17H18FNO2S
Molecular Weight319.40 g/mol
Exact Mass319.10
IUPAC Name4-(4-fluorophenyl)-4-oxo-N-(1-thiophen-2-ylpropan-2-yl)butanamide
SMILESCC(Cc1cccs1)NC(=O)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H18FNO2S/c1-12(11-15-3-2-10-22-15)19-17(21)9-8-16(20)13-4-6-14(18)7-5-13/h2-7,10,12H,8-9,11H2,1H3,(H,19,21)
InChIKeyVIYBMNMAUPBJMP-UHFFFAOYSA-N
XLogP3.60
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(1-thiophen-2-ylpropan-2-yl)propanamide
CID 82110960
2-(propan-2-ylamino)-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 60842186
4-fluoro-2-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 112702369
4-fluoro-3-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 63212844
methane;N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 159530206
1-(4-fluorophenyl)-4-[methyl(thiophen-2-ylmethyl)amino]butan-1-one
CID 60692557
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2555289
4-(5-bromothiophen-2-yl)-N-(1-thiophen-2-ylpropan-2-yl)butanamide
CID 78861198
3-piperidin-2-yl-N-(1-thiophen-2-ylpropan-2-yl)propanamide
CID 62212619
3,4-dihydroxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 103956007
4-(aminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 43705091
4-(4-bromophenyl)-4-oxo-N-[(1S)-1-thiophen-2-ylethyl]butanamide
CID 41104492

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-4-oxo-N-(1-thiophen-2-ylpropan-2-yl)butanamide?
The IUPAC name of 4-(4-fluorophenyl)-4-oxo-N-(1-thiophen-2-ylpropan-2-yl)butanamide (CID 86930480) is 4-(4-fluorophenyl)-4-oxo-N-(1-thiophen-2-ylpropan-2-yl)butanamide.
What is the SMILES notation for 4-(4-fluorophenyl)-4-oxo-N-(1-thiophen-2-ylpropan-2-yl)butanamide?
The canonical SMILES for 4-(4-fluorophenyl)-4-oxo-N-(1-thiophen-2-ylpropan-2-yl)butanamide is CC(Cc1cccs1)NC(=O)CCC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-4-oxo-N-(1-thiophen-2-ylpropan-2-yl)butanamide?
The InChIKey is VIYBMNMAUPBJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2S/c1-12(11-15-3-2-10-22-15)19-17(21)9-8-16(20)13-4-6-14(18)7-5-13/h2-7,10,12H,8-9,11H2,1H3,(H,19,21).
What are the key properties of 4-(4-fluorophenyl)-4-oxo-N-(1-thiophen-2-ylpropan-2-yl)butanamide?
4-(4-fluorophenyl)-4-oxo-N-(1-thiophen-2-ylpropan-2-yl)butanamide has a molecular weight of 319.40 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-4-oxo-N-(1-thiophen-2-ylpropan-2-yl)butanamide is sourced from PubChem (CID 86930480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).