1-(4-ethylphenyl)-5-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide

C23H23N5O4S — CID 6497560

IUPAC1-(4-ethylphenyl)-5-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)CC2=O)cc1
InChIInChI=1S/C23H23N5O4S/c1-2-16-4-8-19(9-5-16)28-15-17(14-21(28)29)22(30)26-18-6-10-20(11-7-18)33(31,32)27-23-24-12-3-13-25-23/h3-13,17H,2,14-15H2,1H3,(H,26,30)(H,24,25,27)
InChIKeyOPUFSNWTPRMCKD-UHFFFAOYSA-N
MW465.54 g/mol
LogP2.83
Rot. Bonds7

About 1-(4-ethylphenyl)-5-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide

1-(4-ethylphenyl)-5-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 6497560) has the molecular formula C23H23N5O4S and a molecular weight of 465.54 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-5-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-ethylphenyl)-5-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID6497560
Molecular FormulaC23H23N5O4S
Molecular Weight465.54 g/mol
Exact Mass465.15
IUPAC Name1-(4-ethylphenyl)-5-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)CC2=O)cc1
InChIInChI=1S/C23H23N5O4S/c1-2-16-4-8-19(9-5-16)28-15-17(14-21(28)29)22(30)26-18-6-10-20(11-7-18)33(31,32)27-23-24-12-3-13-25-23/h3-13,17H,2,14-15H2,1H3,(H,26,30)(H,24,25,27)
InChIKeyOPUFSNWTPRMCKD-UHFFFAOYSA-N
XLogP2.83
TPSA121.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.54
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-5-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-ethylphenyl)-5-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide (CID 6497560) is 1-(4-ethylphenyl)-5-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-ethylphenyl)-5-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-ethylphenyl)-5-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide is CCc1ccc(N2CC(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)CC2=O)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-5-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is OPUFSNWTPRMCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4S/c1-2-16-4-8-19(9-5-16)28-15-17(14-21(28)29)22(30)26-18-6-10-20(11-7-18)33(31,32)27-23-24-12-3-13-25-23/h3-13,17H,2,14-15H2,1H3,(H,26,30)(H,24,25,27).
What are the key properties of 1-(4-ethylphenyl)-5-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide?
1-(4-ethylphenyl)-5-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 465.54 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-5-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 6497560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).