[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate

C21H22N4O7S — CID 4844513

IUPAC[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C21H22N4O7S/c1-24(2)33(29,30)14-8-9-18(31-3)17(10-14)23-19(26)12-32-20(27)11-25-13-22-16-7-5-4-6-15(16)21(25)28/h4-10,13H,11-12H2,1-3H3,(H,23,26)
InChIKeyYEHFIIJAWYRWEJ-UHFFFAOYSA-N
MW474.50 g/mol
LogP0.84
Rot. Bonds8

About [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate

[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate (PubChem CID 4844513) has the molecular formula C21H22N4O7S and a molecular weight of 474.50 g/mol. Its IUPAC name is [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate.

Molecular Properties

Compound Name[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
PubChem CID4844513
Molecular FormulaC21H22N4O7S
Molecular Weight474.50 g/mol
Exact Mass474.12
IUPAC Name[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C21H22N4O7S/c1-24(2)33(29,30)14-8-9-18(31-3)17(10-14)23-19(26)12-32-20(27)11-25-13-22-16-7-5-4-6-15(16)21(25)28/h4-10,13H,11-12H2,1-3H3,(H,23,26)
InChIKeyYEHFIIJAWYRWEJ-UHFFFAOYSA-N
XLogP0.84
TPSA136.90 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.50
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[2-(Difluoromethoxy)anilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 2410671
ethyl 2-({N-(2-methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]glycyl}amino)benzoate
CID 1324419
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2535541
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135768630
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135802886
[2-(2-Methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate
CID 4831338
Methyl 2-[({4-[(isopropylamino)sulfonyl]phenoxy}acetyl)amino]benzoate
CID 1319369
N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 2449887
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 3992657
[2-(2,4-Dimethoxyanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 4791786
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 4831863
[2-[2-(4-Methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 2454748

Frequently Asked Questions

What is the IUPAC name of [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
The IUPAC name of [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate (CID 4844513) is [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate.
What is the SMILES notation for [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
The canonical SMILES for [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate is COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)Cn1cnc2ccccc2c1=O.
What is the InChIKey of [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
The InChIKey is YEHFIIJAWYRWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O7S/c1-24(2)33(29,30)14-8-9-18(31-3)17(10-14)23-19(26)12-32-20(27)11-25-13-22-16-7-5-4-6-15(16)21(25)28/h4-10,13H,11-12H2,1-3H3,(H,23,26).
What are the key properties of [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate?
[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate has a molecular weight of 474.50 g/mol, XLogP of 0.84, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate is sourced from PubChem (CID 4844513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).