N-[3-(dimethylsulfamoyl)phenyl]-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide

C19H20N4O4S — CID 55733302

IUPACN-[3-(dimethylsulfamoyl)phenyl]-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCc1ccc2ncn(CC(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)c(=O)c2c1
InChIInChI=1S/C19H20N4O4S/c1-13-7-8-17-16(9-13)19(25)23(12-20-17)11-18(24)21-14-5-4-6-15(10-14)28(26,27)22(2)3/h4-10,12H,11H2,1-3H3,(H,21,24)
InChIKeySAIXHDUOVOQYFV-UHFFFAOYSA-N
MW400.46 g/mol
LogP1.59
Rot. Bonds5

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

N-[3-(dimethylsulfamoyl)phenyl]-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide (PubChem CID 55733302) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)phenyl]-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)phenyl]-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide
PubChem CID55733302
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC NameN-[3-(dimethylsulfamoyl)phenyl]-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCc1ccc2ncn(CC(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)c(=O)c2c1
InChIInChI=1S/C19H20N4O4S/c1-13-7-8-17-16(9-13)19(25)23(12-20-17)11-18(24)21-14-5-4-6-15(10-14)28(26,27)22(2)3/h4-10,12H,11H2,1-3H3,(H,21,24)
InChIKeySAIXHDUOVOQYFV-UHFFFAOYSA-N
XLogP1.59
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 51.59
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
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(3-methylsulfonylphenyl)acetamide
CID 9355991
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2904511
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 30763519
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 46817824
N-(3-morpholin-4-ylsulfonylphenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 55307287
N-(3-ethylphenyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 46583999
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(3-methoxyphenyl)acetamide
CID 46584174
N,N-diethyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]benzamide
CID 27892984
N-[3-(dimethylsulfamoyl)phenyl]-2-(3-methylanilino)acetamide
CID 51178270
2-(7-nitro-4-oxoquinazolin-3-yl)-N-(3-sulfamoylphenyl)acetamide
CID 55308255
3-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 24589483

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide (CID 55733302) is N-[3-(dimethylsulfamoyl)phenyl]-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)phenyl]-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)phenyl]-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide is Cc1ccc2ncn(CC(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)c(=O)c2c1.
What is the InChIKey of N-[3-(dimethylsulfamoyl)phenyl]-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is SAIXHDUOVOQYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-13-7-8-17-16(9-13)19(25)23(12-20-17)11-18(24)21-14-5-4-6-15(10-14)28(26,27)22(2)3/h4-10,12H,11H2,1-3H3,(H,21,24).
What are the key properties of N-[3-(dimethylsulfamoyl)phenyl]-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide?
N-[3-(dimethylsulfamoyl)phenyl]-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 400.46 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)phenyl]-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 55733302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).