N-(2,5-diethoxyphenyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide

C24H23N3O4S — CID 46679197

IUPACN-(2,5-diethoxyphenyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide
SMILESCCOc1ccc(OCC)c(NC(=O)CSc2nc(-c3ccco3)nc3ccccc23)c1
InChIInChI=1S/C24H23N3O4S/c1-3-29-16-11-12-20(30-4-2)19(14-16)25-22(28)15-32-24-17-8-5-6-9-18(17)26-23(27-24)21-10-7-13-31-21/h5-14H,3-4,15H2,1-2H3,(H,25,28)
InChIKeyCVVAEJALJPTNCF-UHFFFAOYSA-N
MW449.53 g/mol
LogP5.42
Rot. Bonds9

About N-(2,5-diethoxyphenyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide

N-(2,5-diethoxyphenyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide (PubChem CID 46679197) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide
PubChem CID46679197
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC NameN-(2,5-diethoxyphenyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide
SMILESCCOc1ccc(OCC)c(NC(=O)CSc2nc(-c3ccco3)nc3ccccc23)c1
InChIInChI=1S/C24H23N3O4S/c1-3-29-16-11-12-20(30-4-2)19(14-16)25-22(28)15-32-24-17-8-5-6-9-18(17)26-23(27-24)21-10-7-13-31-21/h5-14H,3-4,15H2,1-2H3,(H,25,28)
InChIKeyCVVAEJALJPTNCF-UHFFFAOYSA-N
XLogP5.42
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.53
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,5-diethoxyphenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 36528919
2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-(4-methoxy-2-nitrophenyl)acetamide
CID 46679288
methyl 2-[[2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetyl]amino]acetate
CID 17444323
N-(2-ethyl-6-methylphenyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide
CID 46687521
N-[(4-fluorophenyl)methyl]-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide
CID 46679609
2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 43814879
N-(2,5-diethoxyphenyl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
CID 863167
2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-(2-methylcyclohexyl)acetamide
CID 55490706
N-(2,5-diethoxyphenyl)-2-methylsulfanylacetamide
CID 33312505
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide
CID 24585506
N-(2-cyanoethyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-methylacetamide
CID 17444327
2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 16581465

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide (CID 46679197) is N-(2,5-diethoxyphenyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide is CCOc1ccc(OCC)c(NC(=O)CSc2nc(-c3ccco3)nc3ccccc23)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide?
The InChIKey is CVVAEJALJPTNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-3-29-16-11-12-20(30-4-2)19(14-16)25-22(28)15-32-24-17-8-5-6-9-18(17)26-23(27-24)21-10-7-13-31-21/h5-14H,3-4,15H2,1-2H3,(H,25,28).
What are the key properties of N-(2,5-diethoxyphenyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide?
N-(2,5-diethoxyphenyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide has a molecular weight of 449.53 g/mol, XLogP of 5.42, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide is sourced from PubChem (CID 46679197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).