N-[4-(diethylsulfamoyl)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide

C20H22N4O4S — CID 2202357

IUPACN-[4-(diethylsulfamoyl)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C20H22N4O4S/c1-3-24(4-2)29(27,28)16-11-9-15(10-12-16)22-19(25)13-23-14-21-18-8-6-5-7-17(18)20(23)26/h5-12,14H,3-4,13H2,1-2H3,(H,22,25)
InChIKeyMOLRIJRHVTWNQD-UHFFFAOYSA-N
MW414.49 g/mol
LogP2.07
Rot. Bonds7

About N-[4-(diethylsulfamoyl)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide

N-[4-(diethylsulfamoyl)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 2202357) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID2202357
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C20H22N4O4S/c1-3-24(4-2)29(27,28)16-11-9-15(10-12-16)22-19(25)13-23-14-21-18-8-6-5-7-17(18)20(23)26/h5-12,14H,3-4,13H2,1-2H3,(H,22,25)
InChIKeyMOLRIJRHVTWNQD-UHFFFAOYSA-N
XLogP2.07
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide (CID 2202357) is N-[4-(diethylsulfamoyl)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is MOLRIJRHVTWNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-3-24(4-2)29(27,28)16-11-9-15(10-12-16)22-19(25)13-23-14-21-18-8-6-5-7-17(18)20(23)26/h5-12,14H,3-4,13H2,1-2H3,(H,22,25).
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide?
N-[4-(diethylsulfamoyl)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 414.49 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylsulfamoyl)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 2202357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).