N-(2-ethyl-6-methylphenyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide

C23H21N3O2S — CID 46687521

IUPACN-(2-ethyl-6-methylphenyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide
SMILESCCc1cccc(C)c1NC(=O)CSc1nc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C23H21N3O2S/c1-3-16-9-6-8-15(2)21(16)25-20(27)14-29-23-17-10-4-5-11-18(17)24-22(26-23)19-12-7-13-28-19/h4-13H,3,14H2,1-2H3,(H,25,27)
InChIKeyACMFQJMIENXCBI-UHFFFAOYSA-N
MW403.51 g/mol
LogP5.49
Rot. Bonds6

About N-(2-ethyl-6-methylphenyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide

N-(2-ethyl-6-methylphenyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide (PubChem CID 46687521) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide
PubChem CID46687521
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide
SMILESCCc1cccc(C)c1NC(=O)CSc1nc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C23H21N3O2S/c1-3-16-9-6-8-15(2)21(16)25-20(27)14-29-23-17-10-4-5-11-18(17)24-22(26-23)19-12-7-13-28-19/h4-13H,3,14H2,1-2H3,(H,25,27)
InChIKeyACMFQJMIENXCBI-UHFFFAOYSA-N
XLogP5.49
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.51
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetyl]amino]acetate
CID 17444323
N-(2,5-diethoxyphenyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide
CID 46679197
N-[(4-fluorophenyl)methyl]-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide
CID 46679609
2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-(2-methylcyclohexyl)acetamide
CID 55490706
2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(2,6-dimethylphenyl)acetamide
CID 1442402
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-ethyl-6-methylphenyl)acetamide
CID 2701084
2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 16581465
N-(2-ethyl-6-methylphenyl)-2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4001427
N-(2,3-dimethylphenyl)-2-[2-(4-methylphenyl)quinazolin-4-yl]sulfanylacetamide
CID 3166991
N-(2-cyanoethyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-methylacetamide
CID 17444327
N-(2-ethyl-6-methylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 1307365
N-(2-ethyl-6-methylphenyl)-2-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]sulfanylacetamide
CID 135591687

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide (CID 46687521) is N-(2-ethyl-6-methylphenyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide is CCc1cccc(C)c1NC(=O)CSc1nc(-c2ccco2)nc2ccccc12.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide?
The InChIKey is ACMFQJMIENXCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S/c1-3-16-9-6-8-15(2)21(16)25-20(27)14-29-23-17-10-4-5-11-18(17)24-22(26-23)19-12-7-13-28-19/h4-13H,3,14H2,1-2H3,(H,25,27).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide?
N-(2-ethyl-6-methylphenyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide has a molecular weight of 403.51 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide is sourced from PubChem (CID 46687521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).