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

C18H16FNO3S — CID 3235691

IUPACN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N(c1ccc(F)cc1)C1C=CS(=O)(=O)C1
InChIInChI=1S/C18H16FNO3S/c19-15-6-8-16(9-7-15)20(17-10-11-24(22,23)13-17)18(21)12-14-4-2-1-3-5-14/h1-11,17H,12-13H2
InChIKeyQIMFBYVVZBIHEY-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.71
Rot. Bonds4

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

N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)-2-phenylacetamide (PubChem CID 3235691) has the molecular formula C18H16FNO3S and a molecular weight of 345.40 g/mol. Its IUPAC name is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)-2-phenylacetamide
PubChem CID3235691
Molecular FormulaC18H16FNO3S
Molecular Weight345.40 g/mol
Exact Mass345.08
IUPAC NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N(c1ccc(F)cc1)C1C=CS(=O)(=O)C1
InChIInChI=1S/C18H16FNO3S/c19-15-6-8-16(9-7-15)20(17-10-11-24(22,23)13-17)18(21)12-14-4-2-1-3-5-14/h1-11,17H,12-13H2
InChIKeyQIMFBYVVZBIHEY-UHFFFAOYSA-N
XLogP2.71
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.71
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-phenylacetamide?
The IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)-2-phenylacetamide (CID 3235691) is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)-2-phenylacetamide.
What is the SMILES notation for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)-2-phenylacetamide?
The canonical SMILES for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)-2-phenylacetamide is O=C(Cc1ccccc1)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-phenylacetamide?
The InChIKey is QIMFBYVVZBIHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO3S/c19-15-6-8-16(9-7-15)20(17-10-11-24(22,23)13-17)18(21)12-14-4-2-1-3-5-14/h1-11,17H,12-13H2.
What are the key properties of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)-2-phenylacetamide?
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)-2-phenylacetamide has a molecular weight of 345.40 g/mol, XLogP of 2.71, 4 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-phenylacetamide is sourced from PubChem (CID 3235691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).