N-ethyl-3,4-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide

C19H21N3O3S — CID 135735198

IUPACN-ethyl-3,4-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)S(=O)(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C19H21N3O3S/c1-4-22(26(24,25)15-10-9-13(2)14(3)11-15)12-18-20-17-8-6-5-7-16(17)19(23)21-18/h5-11H,4,12H2,1-3H3,(H,20,21,23)
InChIKeyBRPDJHLOYDESSL-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.75
Rot. Bonds5

About N-ethyl-3,4-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide

N-ethyl-3,4-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide (PubChem CID 135735198) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-ethyl-3,4-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-3,4-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide
PubChem CID135735198
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-ethyl-3,4-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)S(=O)(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C19H21N3O3S/c1-4-22(26(24,25)15-10-9-13(2)14(3)11-15)12-18-20-17-8-6-5-7-16(17)19(23)21-18/h5-11H,4,12H2,1-3H3,(H,20,21,23)
InChIKeyBRPDJHLOYDESSL-UHFFFAOYSA-N
XLogP2.75
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-Benzyl-2-(toluene-4-sulfonylamino)-benzamide
CID 3545567
N-[[3-[4-[[(2S)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]sulfamoyl]phenyl]phenyl]methyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 137287436
N-((S)-1-Phenyl-propyl)-2-(toluene-4-sulfonylamino)-benzamide
CID 44327941
N-{4-[(diethylamino)sulfonyl]phenyl}-2-(4-oxo-3(4H)-quinazolinyl)acetamide
CID 2202357
Benzenesulfonamide, N-[2-(3,4-dihydro-4-oxo-2-quinazolinyl)phenyl]-4-methyl-
CID 135400588
N-Phenethyl-2-(toluene-4-sulfonylamino)-benzamide
CID 7824621
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2517126
N-(4-(2-methyl-4-oxoquinazolin-3(4H)-yl)phenyl)benzenesulfonamide
CID 7161306
Cox-2-IN-18
CID 7869193
4-[2-(2-Methylsulfanyl-4-oxoquinazolin-3-yl)ethyl]benzenesulfonamide
CID 29633256
2-[4-Oxo-3-[2-(4-sulfamoylphenyl)ethyl]quinazolin-2-yl]sulfanylacetamide
CID 29683425
N-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 132609300

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,4-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of N-ethyl-3,4-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide (CID 135735198) is N-ethyl-3,4-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-ethyl-3,4-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-ethyl-3,4-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide is CCN(Cc1nc2ccccc2c(=O)[nH]1)S(=O)(=O)c1ccc(C)c(C)c1.
What is the InChIKey of N-ethyl-3,4-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide?
The InChIKey is BRPDJHLOYDESSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-4-22(26(24,25)15-10-9-13(2)14(3)11-15)12-18-20-17-8-6-5-7-16(17)19(23)21-18/h5-11H,4,12H2,1-3H3,(H,20,21,23).
What are the key properties of N-ethyl-3,4-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide?
N-ethyl-3,4-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide has a molecular weight of 371.46 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,4-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 135735198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).