N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide

C24H21N3O3S2 — CID 16592616

IUPACN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
SMILESO=C(CSc1nc(-c2cccs2)nc2ccccc12)NCCc1ccc2c(c1)OCCO2
InChIInChI=1S/C24H21N3O3S2/c28-22(25-10-9-16-7-8-19-20(14-16)30-12-11-29-19)15-32-24-17-4-1-2-5-18(17)26-23(27-24)21-6-3-13-31-21/h1-8,13-14H,9-12,15H2,(H,25,28)
InChIKeyAQONLMWMLIZWQA-UHFFFAOYSA-N
MW463.58 g/mol
LogP4.58
Rot. Bonds7

About N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide

N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide (PubChem CID 16592616) has the molecular formula C24H21N3O3S2 and a molecular weight of 463.58 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
PubChem CID16592616
Molecular FormulaC24H21N3O3S2
Molecular Weight463.58 g/mol
Exact Mass463.10
IUPAC NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
SMILESO=C(CSc1nc(-c2cccs2)nc2ccccc12)NCCc1ccc2c(c1)OCCO2
InChIInChI=1S/C24H21N3O3S2/c28-22(25-10-9-16-7-8-19-20(14-16)30-12-11-29-19)15-32-24-17-4-1-2-5-18(17)26-23(27-24)21-6-3-13-31-21/h1-8,13-14H,9-12,15H2,(H,25,28)
InChIKeyAQONLMWMLIZWQA-UHFFFAOYSA-N
XLogP4.58
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-thiophen-2-ylethyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 8949580
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 17494811
N-(propylcarbamoyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 7606684
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
CID 16600197
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 24607977
N-[(2R)-3-methylbutan-2-yl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 7300327
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 18141204
2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 16507539
2-(2-methylquinazolin-4-yl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
CID 7627761
N-(1,3-benzodioxol-5-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylpropanamide
CID 4786218
N-(2-ethylphenyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 7606772
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-ethylquinazolin-4-yl)sulfanylacetamide
CID 1435027

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide?
The IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide (CID 16592616) is N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide?
The canonical SMILES for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide is O=C(CSc1nc(-c2cccs2)nc2ccccc12)NCCc1ccc2c(c1)OCCO2.
What is the InChIKey of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide?
The InChIKey is AQONLMWMLIZWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3S2/c28-22(25-10-9-16-7-8-19-20(14-16)30-12-11-29-19)15-32-24-17-4-1-2-5-18(17)26-23(27-24)21-6-3-13-31-21/h1-8,13-14H,9-12,15H2,(H,25,28).
What are the key properties of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide?
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide has a molecular weight of 463.58 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide is sourced from PubChem (CID 16592616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).