2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]acetamide

C20H21FN4O4S — CID 30839267

IUPAC2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]acetamide
SMILESCC(C)NS(=O)(=O)c1cccc(CNC(=O)Cn2cnc3ccc(F)cc3c2=O)c1
InChIInChI=1S/C20H21FN4O4S/c1-13(2)24-30(28,29)16-5-3-4-14(8-16)10-22-19(26)11-25-12-23-18-7-6-15(21)9-17(18)20(25)27/h3-9,12-13,24H,10-11H2,1-2H3,(H,22,26)
InChIKeyWCBOAVTUSQAKDT-UHFFFAOYSA-N
MW432.48 g/mol
LogP1.54
Rot. Bonds7

About 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]acetamide

2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]acetamide (PubChem CID 30839267) has the molecular formula C20H21FN4O4S and a molecular weight of 432.48 g/mol. Its IUPAC name is 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]acetamide
PubChem CID30839267
Molecular FormulaC20H21FN4O4S
Molecular Weight432.48 g/mol
Exact Mass432.13
IUPAC Name2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]acetamide
SMILESCC(C)NS(=O)(=O)c1cccc(CNC(=O)Cn2cnc3ccc(F)cc3c2=O)c1
InChIInChI=1S/C20H21FN4O4S/c1-13(2)24-30(28,29)16-5-3-4-14(8-16)10-22-19(26)11-25-12-23-18-7-6-15(21)9-17(18)20(25)27/h3-9,12-13,24H,10-11H2,1-2H3,(H,22,26)
InChIKeyWCBOAVTUSQAKDT-UHFFFAOYSA-N
XLogP1.54
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]acetamide (CID 30839267) is 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]acetamide is CC(C)NS(=O)(=O)c1cccc(CNC(=O)Cn2cnc3ccc(F)cc3c2=O)c1.
What is the InChIKey of 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]acetamide?
The InChIKey is WCBOAVTUSQAKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O4S/c1-13(2)24-30(28,29)16-5-3-4-14(8-16)10-22-19(26)11-25-12-23-18-7-6-15(21)9-17(18)20(25)27/h3-9,12-13,24H,10-11H2,1-2H3,(H,22,26).
What are the key properties of 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]acetamide?
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]acetamide has a molecular weight of 432.48 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]acetamide is sourced from PubChem (CID 30839267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).