N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide

C21H23FN4O5S — CID 30839773

IUPACN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)Cn2cnc3ccc(F)cc3c2=O)c1
InChIInChI=1S/C21H23FN4O5S/c1-4-26(5-2)32(29,30)15-7-9-19(31-3)18(11-15)24-20(27)12-25-13-23-17-8-6-14(22)10-16(17)21(25)28/h6-11,13H,4-5,12H2,1-3H3,(H,24,27)
InChIKeyVECDDYGICCTELI-UHFFFAOYSA-N
MW462.50 g/mol
LogP2.21
Rot. Bonds8

About N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide (PubChem CID 30839773) has the molecular formula C21H23FN4O5S and a molecular weight of 462.50 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
PubChem CID30839773
Molecular FormulaC21H23FN4O5S
Molecular Weight462.50 g/mol
Exact Mass462.14
IUPAC NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)Cn2cnc3ccc(F)cc3c2=O)c1
InChIInChI=1S/C21H23FN4O5S/c1-4-26(5-2)32(29,30)15-7-9-19(31-3)18(11-15)24-20(27)12-25-13-23-17-8-6-14(22)10-16(17)21(25)28/h6-11,13H,4-5,12H2,1-3H3,(H,24,27)
InChIKeyVECDDYGICCTELI-UHFFFAOYSA-N
XLogP2.21
TPSA110.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.50
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 55582449
N-[3-(dimethylsulfamoyl)phenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 30839766
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-methylsulfanylacetamide
CID 17407665
N-(5-chloro-2-methoxyphenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 7227403
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 30840318
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(3-methoxyphenyl)acetamide
CID 46584174
N-(2-methoxy-5-nitrophenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 4034361
N-(5-chloro-2-methoxyphenyl)-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 16548528
3-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1,1-diethylurea
CID 17257281
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 30840588
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 55576746
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-pyridin-2-ylsulfanylacetamide
CID 4793905

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide (CID 30839773) is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide is CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)Cn2cnc3ccc(F)cc3c2=O)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is VECDDYGICCTELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O5S/c1-4-26(5-2)32(29,30)15-7-9-19(31-3)18(11-15)24-20(27)12-25-13-23-17-8-6-14(22)10-16(17)21(25)28/h6-11,13H,4-5,12H2,1-3H3,(H,24,27).
What are the key properties of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide?
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 462.50 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 30839773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).