(4-aminoquinazolin-2-yl)methyl 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate

C20H23N5O5S — CID 55453529

IUPAC(4-aminoquinazolin-2-yl)methyl 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate
SMILESCN(C)S(=O)(=O)c1ccc(NCCO)c(C(=O)OCc2nc(N)c3ccccc3n2)c1
InChIInChI=1S/C20H23N5O5S/c1-25(2)31(28,29)13-7-8-16(22-9-10-26)15(11-13)20(27)30-12-18-23-17-6-4-3-5-14(17)19(21)24-18/h3-8,11,22,26H,9-10,12H2,1-2H3,(H2,21,23,24)
InChIKeyUDSFHNWNEFQQAB-UHFFFAOYSA-N
MW445.50 g/mol
LogP1.22
Rot. Bonds8

About (4-aminoquinazolin-2-yl)methyl 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate

(4-aminoquinazolin-2-yl)methyl 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate (PubChem CID 55453529) has the molecular formula C20H23N5O5S and a molecular weight of 445.50 g/mol. Its IUPAC name is (4-aminoquinazolin-2-yl)methyl 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate.

Molecular Properties

Compound Name(4-aminoquinazolin-2-yl)methyl 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate
PubChem CID55453529
Molecular FormulaC20H23N5O5S
Molecular Weight445.50 g/mol
Exact Mass445.14
IUPAC Name(4-aminoquinazolin-2-yl)methyl 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate
SMILESCN(C)S(=O)(=O)c1ccc(NCCO)c(C(=O)OCc2nc(N)c3ccccc3n2)c1
InChIInChI=1S/C20H23N5O5S/c1-25(2)31(28,29)13-7-8-16(22-9-10-26)15(11-13)20(27)30-12-18-23-17-6-4-3-5-14(17)19(21)24-18/h3-8,11,22,26H,9-10,12H2,1-2H3,(H2,21,23,24)
InChIKeyUDSFHNWNEFQQAB-UHFFFAOYSA-N
XLogP1.22
TPSA147.74 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (4-aminoquinazolin-2-yl)methyl 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate 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

[5-(dimethylsulfamoyl)furan-2-yl]methyl 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate
CID 55730450
[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate
CID 55450272
(6-chloro-4H-1,3-benzodioxin-8-yl)methyl 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate
CID 30166145
(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate
CID 55493246
(4-aminoquinazolin-2-yl)methyl 4-chloro-3-(diethylsulfamoyl)benzoate
CID 27911696
[2-(butylcarbamoylamino)-2-oxoethyl] 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate
CID 55425029
[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate
CID 30166471
(4-aminoquinazolin-2-yl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 55454232
4-amino-3-(2-hydroxyethylamino)-N,N-dimethylbenzenesulfonamide
CID 82899068
(4-aminoquinazolin-2-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 55453452
(4-aminoquinazolin-2-yl)methyl 2-fluoro-4-methoxybenzoate
CID 17416370
5-(dimethylsulfamoyl)-2-(2-ethoxyethylamino)benzoic acid
CID 60964537

Frequently Asked Questions

What is the IUPAC name of (4-aminoquinazolin-2-yl)methyl 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate?
The IUPAC name of (4-aminoquinazolin-2-yl)methyl 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate (CID 55453529) is (4-aminoquinazolin-2-yl)methyl 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate.
What is the SMILES notation for (4-aminoquinazolin-2-yl)methyl 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate?
The canonical SMILES for (4-aminoquinazolin-2-yl)methyl 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate is CN(C)S(=O)(=O)c1ccc(NCCO)c(C(=O)OCc2nc(N)c3ccccc3n2)c1.
What is the InChIKey of (4-aminoquinazolin-2-yl)methyl 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate?
The InChIKey is UDSFHNWNEFQQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O5S/c1-25(2)31(28,29)13-7-8-16(22-9-10-26)15(11-13)20(27)30-12-18-23-17-6-4-3-5-14(17)19(21)24-18/h3-8,11,22,26H,9-10,12H2,1-2H3,(H2,21,23,24).
What are the key properties of (4-aminoquinazolin-2-yl)methyl 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate?
(4-aminoquinazolin-2-yl)methyl 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate has a molecular weight of 445.50 g/mol, XLogP of 1.22, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminoquinazolin-2-yl)methyl 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate is sourced from PubChem (CID 55453529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).