N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)-2-methylpropanamide

C14H16FNO3S — CID 3236941

IUPACN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)-2-methylpropanamide
SMILESCC(C)C(=O)N(c1ccc(F)cc1)C1C=CS(=O)(=O)C1
InChIInChI=1S/C14H16FNO3S/c1-10(2)14(17)16(12-5-3-11(15)4-6-12)13-7-8-20(18,19)9-13/h3-8,10,13H,9H2,1-2H3
InChIKeyYMVPXFBMZDBAER-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.13
Rot. Bonds3

About N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)-2-methylpropanamide

N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)-2-methylpropanamide (PubChem CID 3236941) has the molecular formula C14H16FNO3S and a molecular weight of 297.35 g/mol. Its IUPAC name is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)-2-methylpropanamide
PubChem CID3236941
Molecular FormulaC14H16FNO3S
Molecular Weight297.35 g/mol
Exact Mass297.08
IUPAC NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)-2-methylpropanamide
SMILESCC(C)C(=O)N(c1ccc(F)cc1)C1C=CS(=O)(=O)C1
InChIInChI=1S/C14H16FNO3S/c1-10(2)14(17)16(12-5-3-11(15)4-6-12)13-7-8-20(18,19)9-13/h3-8,10,13H,9H2,1-2H3
InChIKeyYMVPXFBMZDBAER-UHFFFAOYSA-N
XLogP2.13
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)-2-methylpropanamide?
The IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)-2-methylpropanamide (CID 3236941) is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)-2-methylpropanamide.
What is the SMILES notation for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)-2-methylpropanamide?
The canonical SMILES for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)-2-methylpropanamide is CC(C)C(=O)N(c1ccc(F)cc1)C1C=CS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)-2-methylpropanamide?
The InChIKey is YMVPXFBMZDBAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3S/c1-10(2)14(17)16(12-5-3-11(15)4-6-12)13-7-8-20(18,19)9-13/h3-8,10,13H,9H2,1-2H3.
What are the key properties of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)-2-methylpropanamide?
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)-2-methylpropanamide has a molecular weight of 297.35 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)-2-methylpropanamide is sourced from PubChem (CID 3236941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).