[3-(dimethylsulfamoyl)phenyl]methyl 2-(4-oxoquinazolin-3-yl)acetate

C19H19N3O5S — CID 4853935

IUPAC[3-(dimethylsulfamoyl)phenyl]methyl 2-(4-oxoquinazolin-3-yl)acetate
SMILESCN(C)S(=O)(=O)c1cccc(COC(=O)Cn2cnc3ccccc3c2=O)c1
InChIInChI=1S/C19H19N3O5S/c1-21(2)28(25,26)15-7-5-6-14(10-15)12-27-18(23)11-22-13-20-17-9-4-3-8-16(17)19(22)24/h3-10,13H,11-12H2,1-2H3
InChIKeyDMUUNHXZOKYTPP-UHFFFAOYSA-N
MW401.44 g/mol
LogP1.39
Rot. Bonds6

About [3-(dimethylsulfamoyl)phenyl]methyl 2-(4-oxoquinazolin-3-yl)acetate

[3-(dimethylsulfamoyl)phenyl]methyl 2-(4-oxoquinazolin-3-yl)acetate (PubChem CID 4853935) has the molecular formula C19H19N3O5S and a molecular weight of 401.44 g/mol. Its IUPAC name is [3-(dimethylsulfamoyl)phenyl]methyl 2-(4-oxoquinazolin-3-yl)acetate.

Molecular Properties

Compound Name[3-(dimethylsulfamoyl)phenyl]methyl 2-(4-oxoquinazolin-3-yl)acetate
PubChem CID4853935
Molecular FormulaC19H19N3O5S
Molecular Weight401.44 g/mol
Exact Mass401.10
IUPAC Name[3-(dimethylsulfamoyl)phenyl]methyl 2-(4-oxoquinazolin-3-yl)acetate
SMILESCN(C)S(=O)(=O)c1cccc(COC(=O)Cn2cnc3ccccc3c2=O)c1
InChIInChI=1S/C19H19N3O5S/c1-21(2)28(25,26)15-7-5-6-14(10-15)12-27-18(23)11-22-13-20-17-9-4-3-8-16(17)19(22)24/h3-10,13H,11-12H2,1-2H3
InChIKeyDMUUNHXZOKYTPP-UHFFFAOYSA-N
XLogP1.39
TPSA98.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-(dimethylsulfamoyl)phenyl]methyl 2-(4-oxoquinazolin-3-yl)acetate?
The IUPAC name of [3-(dimethylsulfamoyl)phenyl]methyl 2-(4-oxoquinazolin-3-yl)acetate (CID 4853935) is [3-(dimethylsulfamoyl)phenyl]methyl 2-(4-oxoquinazolin-3-yl)acetate.
What is the SMILES notation for [3-(dimethylsulfamoyl)phenyl]methyl 2-(4-oxoquinazolin-3-yl)acetate?
The canonical SMILES for [3-(dimethylsulfamoyl)phenyl]methyl 2-(4-oxoquinazolin-3-yl)acetate is CN(C)S(=O)(=O)c1cccc(COC(=O)Cn2cnc3ccccc3c2=O)c1.
What is the InChIKey of [3-(dimethylsulfamoyl)phenyl]methyl 2-(4-oxoquinazolin-3-yl)acetate?
The InChIKey is DMUUNHXZOKYTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S/c1-21(2)28(25,26)15-7-5-6-14(10-15)12-27-18(23)11-22-13-20-17-9-4-3-8-16(17)19(22)24/h3-10,13H,11-12H2,1-2H3.
What are the key properties of [3-(dimethylsulfamoyl)phenyl]methyl 2-(4-oxoquinazolin-3-yl)acetate?
[3-(dimethylsulfamoyl)phenyl]methyl 2-(4-oxoquinazolin-3-yl)acetate has a molecular weight of 401.44 g/mol, XLogP of 1.39, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylsulfamoyl)phenyl]methyl 2-(4-oxoquinazolin-3-yl)acetate is sourced from PubChem (CID 4853935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).