N-[4-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide

C18H18FN3O4S — CID 16829599

IUPACN-[4-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC2CC(=O)N(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C18H18FN3O4S/c1-12(23)20-14-4-8-17(9-5-14)27(25,26)21-15-10-18(24)22(11-15)16-6-2-13(19)3-7-16/h2-9,15,21H,10-11H2,1H3,(H,20,23)
InChIKeyAKSRSXVYXFOKHT-UHFFFAOYSA-N
MW391.42 g/mol
LogP1.87
Rot. Bonds5

About N-[4-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide

N-[4-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide (PubChem CID 16829599) has the molecular formula C18H18FN3O4S and a molecular weight of 391.42 g/mol. Its IUPAC name is N-[4-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide
PubChem CID16829599
Molecular FormulaC18H18FN3O4S
Molecular Weight391.42 g/mol
Exact Mass391.10
IUPAC NameN-[4-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC2CC(=O)N(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C18H18FN3O4S/c1-12(23)20-14-4-8-17(9-5-14)27(25,26)21-15-10-18(24)22(11-15)16-6-2-13(19)3-7-16/h2-9,15,21H,10-11H2,1H3,(H,20,23)
InChIKeyAKSRSXVYXFOKHT-UHFFFAOYSA-N
XLogP1.87
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide (CID 16829599) is N-[4-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NC2CC(=O)N(c3ccc(F)cc3)C2)cc1.
What is the InChIKey of N-[4-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is AKSRSXVYXFOKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O4S/c1-12(23)20-14-4-8-17(9-5-14)27(25,26)21-15-10-18(24)22(11-15)16-6-2-13(19)3-7-16/h2-9,15,21H,10-11H2,1H3,(H,20,23).
What are the key properties of N-[4-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 391.42 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 16829599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).