(4-oxo-3H-quinazolin-2-yl)methyl 5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzoate

C23H26N4O5S — CID 135901470

IUPAC(4-oxo-3H-quinazolin-2-yl)methyl 5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzoate
SMILESCN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)OCc2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C23H26N4O5S/c1-26(2)33(30,31)16-10-11-20(27-12-6-3-7-13-27)18(14-16)23(29)32-15-21-24-19-9-5-4-8-17(19)22(28)25-21/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3,(H,24,25,28)
InChIKeyAICWBBVCPMJRQJ-UHFFFAOYSA-N
MW470.55 g/mol
LogP2.52
Rot. Bonds6

About (4-oxo-3H-quinazolin-2-yl)methyl 5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzoate

(4-oxo-3H-quinazolin-2-yl)methyl 5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzoate (PubChem CID 135901470) has the molecular formula C23H26N4O5S and a molecular weight of 470.55 g/mol. Its IUPAC name is (4-oxo-3H-quinazolin-2-yl)methyl 5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzoate.

Molecular Properties

Compound Name(4-oxo-3H-quinazolin-2-yl)methyl 5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzoate
PubChem CID135901470
Molecular FormulaC23H26N4O5S
Molecular Weight470.55 g/mol
Exact Mass470.16
IUPAC Name(4-oxo-3H-quinazolin-2-yl)methyl 5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzoate
SMILESCN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)OCc2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C23H26N4O5S/c1-26(2)33(30,31)16-10-11-20(27-12-6-3-7-13-27)18(14-16)23(29)32-15-21-24-19-9-5-4-8-17(19)22(28)25-21/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3,(H,24,25,28)
InChIKeyAICWBBVCPMJRQJ-UHFFFAOYSA-N
XLogP2.52
TPSA112.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(1,3-dioxoisoindol-2-yl)methyl 5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzoate
CID 43027316
(4-methylphenyl)methyl 5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate
CID 2626484
2-oxopropyl 5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate
CID 29200680
(3-carbamoylphenyl)methyl 5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzoate
CID 55634329
N-(1H-benzimidazol-2-ylmethyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 112791035
(3-methoxycarbonylphenyl)methyl 5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzoate
CID 31878076
(4-oxo-3H-quinazolin-2-yl)methyl 4-(diethylsulfamoyl)benzoate
CID 135734831
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135893038
(4-methoxyphenyl) 5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzoate
CID 16573126
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzoate
CID 43027310
2-benzoyloxyethyl 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
CID 42983355
N-benzyl-5-(dimethylsulfamoyl)-N-methyl-2-pyrrolidin-1-ylbenzamide
CID 29200489

Frequently Asked Questions

What is the IUPAC name of (4-oxo-3H-quinazolin-2-yl)methyl 5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzoate?
The IUPAC name of (4-oxo-3H-quinazolin-2-yl)methyl 5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzoate (CID 135901470) is (4-oxo-3H-quinazolin-2-yl)methyl 5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzoate.
What is the SMILES notation for (4-oxo-3H-quinazolin-2-yl)methyl 5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzoate?
The canonical SMILES for (4-oxo-3H-quinazolin-2-yl)methyl 5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzoate is CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)OCc2nc3ccccc3c(=O)[nH]2)c1.
What is the InChIKey of (4-oxo-3H-quinazolin-2-yl)methyl 5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzoate?
The InChIKey is AICWBBVCPMJRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5S/c1-26(2)33(30,31)16-10-11-20(27-12-6-3-7-13-27)18(14-16)23(29)32-15-21-24-19-9-5-4-8-17(19)22(28)25-21/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3,(H,24,25,28).
What are the key properties of (4-oxo-3H-quinazolin-2-yl)methyl 5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzoate?
(4-oxo-3H-quinazolin-2-yl)methyl 5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzoate has a molecular weight of 470.55 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-3H-quinazolin-2-yl)methyl 5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzoate is sourced from PubChem (CID 135901470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).