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

C18H14BrFN2O3S — CID 1070759

IUPACN-(4-bromophenyl)-2-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide
SMILESO=C(CS[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O)Nc1ccc(Br)cc1
InChIInChI=1S/C18H14BrFN2O3S/c19-11-1-5-13(6-2-11)21-16(23)10-26-15-9-17(24)22(18(15)25)14-7-3-12(20)4-8-14/h1-8,15H,9-10H2,(H,21,23)/t15-/m0/s1
InChIKeyCPKBLHYIIVQGLW-HNNXBMFYSA-N
MW437.29 g/mol
LogP3.59
Rot. Bonds5

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

N-(4-bromophenyl)-2-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide (PubChem CID 1070759) has the molecular formula C18H14BrFN2O3S and a molecular weight of 437.29 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide
PubChem CID1070759
Molecular FormulaC18H14BrFN2O3S
Molecular Weight437.29 g/mol
Exact Mass435.99
IUPAC NameN-(4-bromophenyl)-2-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide
SMILESO=C(CS[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O)Nc1ccc(Br)cc1
InChIInChI=1S/C18H14BrFN2O3S/c19-11-1-5-13(6-2-11)21-16(23)10-26-15-9-17(24)22(18(15)25)14-7-3-12(20)4-8-14/h1-8,15H,9-10H2,(H,21,23)/t15-/m0/s1
InChIKeyCPKBLHYIIVQGLW-HNNXBMFYSA-N
XLogP3.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.29
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromophenyl)-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 647254
N-(4-bromophenyl)-2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)acetamide
CID 660504
N-(4-bromophenyl)-2-((4-fluorophenyl)thio)acetamide
CID 893673
N-(4-bromo-2-fluorophenyl)-4-(2,5-dioxo-1-pyrrolidinyl)butanamide
CID 2219836
N-(4-bromo-2-fluorophenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide
CID 2219854
N-(4-Bromo-phenyl)-2-(2,5-dioxo-1-phenethyl-pyrrolidin-3-ylsulfanyl)-acetamide
CID 2852332
[1-(4-Bromo-phenyl)-2,5-dioxo-pyrrolidin-3-ylsulfanyl]-acetic acid
CID 2827707
2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-phenylacetamide
CID 660584
4-(4-Bromophenyl)-1-thia-4-azaspiro[4.5]decan-3-one
CID 748010
N-(4-bromophenyl)-2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)acetamide
CID 4589295
N-(4-bromophenyl)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide
CID 4728913
2-((4-(4-bromophenyl)-3-oxo-3,4-dihydropyrazin-2-yl)thio)-N-(2-fluorophenyl)acetamide
CID 18579534

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide?
The IUPAC name of N-(4-bromophenyl)-2-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide (CID 1070759) is N-(4-bromophenyl)-2-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide is O=C(CS[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide?
The InChIKey is CPKBLHYIIVQGLW-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H14BrFN2O3S/c19-11-1-5-13(6-2-11)21-16(23)10-26-15-9-17(24)22(18(15)25)14-7-3-12(20)4-8-14/h1-8,15H,9-10H2,(H,21,23)/t15-/m0/s1.
What are the key properties of N-(4-bromophenyl)-2-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide?
N-(4-bromophenyl)-2-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide has a molecular weight of 437.29 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide is sourced from PubChem (CID 1070759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).