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

C24H21FN4O4S — CID 30840318

IUPACN-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)Cn2cnc3ccc(F)cc3c2=O)cc1
InChIInChI=1S/C24H21FN4O4S/c1-28(14-17-5-3-2-4-6-17)34(32,33)20-10-8-19(9-11-20)27-23(30)15-29-16-26-22-12-7-18(25)13-21(22)24(29)31/h2-13,16H,14-15H2,1H3,(H,27,30)
InChIKeyKATCXHSQNNOGAA-UHFFFAOYSA-N
MW480.52 g/mol
LogP2.99
Rot. Bonds7

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

N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide (PubChem CID 30840318) has the molecular formula C24H21FN4O4S and a molecular weight of 480.52 g/mol. Its IUPAC name is N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
PubChem CID30840318
Molecular FormulaC24H21FN4O4S
Molecular Weight480.52 g/mol
Exact Mass480.13
IUPAC NameN-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)Cn2cnc3ccc(F)cc3c2=O)cc1
InChIInChI=1S/C24H21FN4O4S/c1-28(14-17-5-3-2-4-6-17)34(32,33)20-10-8-19(9-11-20)27-23(30)15-29-16-26-22-12-7-18(25)13-21(22)24(29)31/h2-13,16H,14-15H2,1H3,(H,27,30)
InChIKeyKATCXHSQNNOGAA-UHFFFAOYSA-N
XLogP2.99
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(dimethylsulfamoyl)phenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 30839766
N-ethyl-2-[4-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-N-phenylacetamide
CID 55891024
S-[4-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56580060
N-(3-ethylphenyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 46583999
N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 43059517
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(3-methoxyphenyl)acetamide
CID 46584174
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 43039486
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 30839773
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(3-methyl-2-pyridinyl)acetamide
CID 46581294
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 43039485
N-(4-bromo-3-methylphenyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 46586085
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-phenylmethoxyacetamide
CID 47023949

Frequently Asked Questions

What is the IUPAC name of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide (CID 30840318) is N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide is CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)Cn2cnc3ccc(F)cc3c2=O)cc1.
What is the InChIKey of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is KATCXHSQNNOGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O4S/c1-28(14-17-5-3-2-4-6-17)34(32,33)20-10-8-19(9-11-20)27-23(30)15-29-16-26-22-12-7-18(25)13-21(22)24(29)31/h2-13,16H,14-15H2,1H3,(H,27,30).
What are the key properties of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide?
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 480.52 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 30840318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).