N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide

C17H17N3O4S — CID 71271610

IUPACN-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCN1Cc2cc(NS(=O)(=O)c3ccc4c(c3)CCO4)ccc2NC1=O
InChIInChI=1S/C17H17N3O4S/c1-20-10-12-8-13(2-4-15(12)18-17(20)21)19-25(22,23)14-3-5-16-11(9-14)6-7-24-16/h2-5,8-9,19H,6-7,10H2,1H3,(H,18,21)
InChIKeyZVHGSBOAYOOHEB-UHFFFAOYSA-N
MW359.41 g/mol
LogP2.40
Rot. Bonds3

About N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide

N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 71271610) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID71271610
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC NameN-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCN1Cc2cc(NS(=O)(=O)c3ccc4c(c3)CCO4)ccc2NC1=O
InChIInChI=1S/C17H17N3O4S/c1-20-10-12-8-13(2-4-15(12)18-17(20)21)19-25(22,23)14-3-5-16-11(9-14)6-7-24-16/h2-5,8-9,19H,6-7,10H2,1H3,(H,18,21)
InChIKeyZVHGSBOAYOOHEB-UHFFFAOYSA-N
XLogP2.40
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide with MolForge

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Related Compounds

4-N,4-N-dimethyl-1-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzene-1,4-disulfonamide
CID 139007939
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51177885
N-(3,4-dimethylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 44623892
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705679
N-(4-methylphenyl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705643
2-methoxy-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide
CID 71271629
N-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)phenyl]-N-methylacetamide
CID 86858443
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 4783634
N-(4-methyl-1H-pyrazol-5-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 115631156
N-[3-(hydroxymethyl)phenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 60661387
4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-N,N-diethylbenzamide
CID 51177921
3-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-4H-1,4-benzoxazine-6-sulfonamide
CID 46962935

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 71271610) is N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide is CN1Cc2cc(NS(=O)(=O)c3ccc4c(c3)CCO4)ccc2NC1=O.
What is the InChIKey of N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is ZVHGSBOAYOOHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-20-10-12-8-13(2-4-15(12)18-17(20)21)19-25(22,23)14-3-5-16-11(9-14)6-7-24-16/h2-5,8-9,19H,6-7,10H2,1H3,(H,18,21).
What are the key properties of N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 359.41 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 71271610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).