N-(3-fluorophenyl)-2-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide

C18H14F2N2O3S — CID 3109134

IUPACN-(3-fluorophenyl)-2-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide
SMILESO=C(CSC1CC(=O)N(c2ccc(F)cc2)C1=O)Nc1cccc(F)c1
InChIInChI=1S/C18H14F2N2O3S/c19-11-4-6-14(7-5-11)22-17(24)9-15(18(22)25)26-10-16(23)21-13-3-1-2-12(20)8-13/h1-8,15H,9-10H2,(H,21,23)
InChIKeyWPTRUSOHWCJNTC-UHFFFAOYSA-N
MW376.38 g/mol
LogP2.97
Rot. Bonds5

About N-(3-fluorophenyl)-2-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide

N-(3-fluorophenyl)-2-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide (PubChem CID 3109134) has the molecular formula C18H14F2N2O3S and a molecular weight of 376.38 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide
PubChem CID3109134
Molecular FormulaC18H14F2N2O3S
Molecular Weight376.38 g/mol
Exact Mass376.07
IUPAC NameN-(3-fluorophenyl)-2-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide
SMILESO=C(CSC1CC(=O)N(c2ccc(F)cc2)C1=O)Nc1cccc(F)c1
InChIInChI=1S/C18H14F2N2O3S/c19-11-4-6-14(7-5-11)22-17(24)9-15(18(22)25)26-10-16(23)21-13-3-1-2-12(20)8-13/h1-8,15H,9-10H2,(H,21,23)
InChIKeyWPTRUSOHWCJNTC-UHFFFAOYSA-N
XLogP2.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide (CID 3109134) is N-(3-fluorophenyl)-2-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide is O=C(CSC1CC(=O)N(c2ccc(F)cc2)C1=O)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide?
The InChIKey is WPTRUSOHWCJNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O3S/c19-11-4-6-14(7-5-11)22-17(24)9-15(18(22)25)26-10-16(23)21-13-3-1-2-12(20)8-13/h1-8,15H,9-10H2,(H,21,23).
What are the key properties of N-(3-fluorophenyl)-2-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide?
N-(3-fluorophenyl)-2-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide has a molecular weight of 376.38 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide is sourced from PubChem (CID 3109134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).