N-(2,5-diethoxyphenyl)-2-quinazolin-4-ylsulfanylacetamide

C20H21N3O3S — CID 36528919

IUPACN-(2,5-diethoxyphenyl)-2-quinazolin-4-ylsulfanylacetamide
SMILESCCOc1ccc(OCC)c(NC(=O)CSc2ncnc3ccccc23)c1
InChIInChI=1S/C20H21N3O3S/c1-3-25-14-9-10-18(26-4-2)17(11-14)23-19(24)12-27-20-15-7-5-6-8-16(15)21-13-22-20/h5-11,13H,3-4,12H2,1-2H3,(H,23,24)
InChIKeyMVQHRWXDFLMFRD-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.16
Rot. Bonds8

About N-(2,5-diethoxyphenyl)-2-quinazolin-4-ylsulfanylacetamide

N-(2,5-diethoxyphenyl)-2-quinazolin-4-ylsulfanylacetamide (PubChem CID 36528919) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-2-quinazolin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-2-quinazolin-4-ylsulfanylacetamide
PubChem CID36528919
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-(2,5-diethoxyphenyl)-2-quinazolin-4-ylsulfanylacetamide
SMILESCCOc1ccc(OCC)c(NC(=O)CSc2ncnc3ccccc23)c1
InChIInChI=1S/C20H21N3O3S/c1-3-25-14-9-10-18(26-4-2)17(11-14)23-19(24)12-27-20-15-7-5-6-8-16(15)21-13-22-20/h5-11,13H,3-4,12H2,1-2H3,(H,23,24)
InChIKeyMVQHRWXDFLMFRD-UHFFFAOYSA-N
XLogP4.16
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-diethoxyphenyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide
CID 46679197
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-quinazolin-4-ylsulfanylacetamide
CID 9323395
2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(2,5-diethoxyphenyl)acetamide
CID 1445584
N-(2,5-diethoxyphenyl)-2-methylsulfanylacetamide
CID 33312505
N-(2,5-diethoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 43000702
N-(2,5-diethoxyphenyl)-2-[[3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]acetamide
CID 1153131
N-(2,5-diethoxyphenyl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
CID 863167
N-(2-benzylphenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 9323347
2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(2-ethoxyphenyl)acetamide
CID 2158329
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-quinazolin-4-ylsulfanylacetamide
CID 9325587
2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(2,5-diethoxyphenyl)acetamide
CID 5014230
N-tert-butyl-2-quinazolin-4-ylsulfanylacetamide
CID 2607919

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-2-quinazolin-4-ylsulfanylacetamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-2-quinazolin-4-ylsulfanylacetamide (CID 36528919) is N-(2,5-diethoxyphenyl)-2-quinazolin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-2-quinazolin-4-ylsulfanylacetamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-2-quinazolin-4-ylsulfanylacetamide is CCOc1ccc(OCC)c(NC(=O)CSc2ncnc3ccccc23)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-2-quinazolin-4-ylsulfanylacetamide?
The InChIKey is MVQHRWXDFLMFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-3-25-14-9-10-18(26-4-2)17(11-14)23-19(24)12-27-20-15-7-5-6-8-16(15)21-13-22-20/h5-11,13H,3-4,12H2,1-2H3,(H,23,24).
What are the key properties of N-(2,5-diethoxyphenyl)-2-quinazolin-4-ylsulfanylacetamide?
N-(2,5-diethoxyphenyl)-2-quinazolin-4-ylsulfanylacetamide has a molecular weight of 383.47 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-2-quinazolin-4-ylsulfanylacetamide is sourced from PubChem (CID 36528919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).