N-[4-(dimethylsulfamoyl)phenyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide

C18H18N4O5S — CID 55600769

IUPACN-[4-(dimethylsulfamoyl)phenyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)cc1
InChIInChI=1S/C18H18N4O5S/c1-21(2)28(26,27)13-9-7-12(8-10-13)19-16(23)11-22-17(24)14-5-3-4-6-15(14)20-18(22)25/h3-10H,11H2,1-2H3,(H,19,23)(H,20,25)
InChIKeyJHDJLYAIHOSOBI-UHFFFAOYSA-N
MW402.43 g/mol
LogP0.58
Rot. Bonds5

About N-[4-(dimethylsulfamoyl)phenyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide

N-[4-(dimethylsulfamoyl)phenyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide (PubChem CID 55600769) has the molecular formula C18H18N4O5S and a molecular weight of 402.43 g/mol. Its IUPAC name is N-[4-(dimethylsulfamoyl)phenyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(dimethylsulfamoyl)phenyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
PubChem CID55600769
Molecular FormulaC18H18N4O5S
Molecular Weight402.43 g/mol
Exact Mass402.10
IUPAC NameN-[4-(dimethylsulfamoyl)phenyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)cc1
InChIInChI=1S/C18H18N4O5S/c1-21(2)28(26,27)13-9-7-12(8-10-13)19-16(23)11-22-17(24)14-5-3-4-6-15(14)20-18(22)25/h3-10H,11H2,1-2H3,(H,19,23)(H,20,25)
InChIKeyJHDJLYAIHOSOBI-UHFFFAOYSA-N
XLogP0.58
TPSA121.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 55600588
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-phenoxyphenyl)acetamide
CID 4975182
N-[4-(dimethylsulfamoyl)phenyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 24555151
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-3-ylacetamide
CID 4906968
N-(3-chlorophenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 4973865
N-[3-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-4-methylphenyl]propanamide
CID 55725404
N-[4-(dimethylsulfamoyl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 2579264
N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-(9-oxoacridin-10-yl)acetamide
CID 30041609
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-oxochromen-6-yl)acetamide
CID 42506993
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 86843479
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]acetamide
CID 146021610
N-[4-(dimethylsulfamoyl)phenyl]-2-naphthalen-1-ylsulfanylacetamide
CID 9457949

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide?
The IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide (CID 55600769) is N-[4-(dimethylsulfamoyl)phenyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide.
What is the SMILES notation for N-[4-(dimethylsulfamoyl)phenyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide?
The canonical SMILES for N-[4-(dimethylsulfamoyl)phenyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide is CN(C)S(=O)(=O)c1ccc(NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)cc1.
What is the InChIKey of N-[4-(dimethylsulfamoyl)phenyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide?
The InChIKey is JHDJLYAIHOSOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O5S/c1-21(2)28(26,27)13-9-7-12(8-10-13)19-16(23)11-22-17(24)14-5-3-4-6-15(14)20-18(22)25/h3-10H,11H2,1-2H3,(H,19,23)(H,20,25).
What are the key properties of N-[4-(dimethylsulfamoyl)phenyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide?
N-[4-(dimethylsulfamoyl)phenyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide has a molecular weight of 402.43 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylsulfamoyl)phenyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide is sourced from PubChem (CID 55600769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).