2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(2-methoxyphenoxy)ethyl]acetamide

C19H21N3O3S2 — CID 8570291

IUPAC2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(2-methoxyphenoxy)ethyl]acetamide
SMILESCCc1cc2c(SCC(=O)NCCOc3ccccc3OC)ncnc2s1
InChIInChI=1S/C19H21N3O3S2/c1-3-13-10-14-18(21-12-22-19(14)27-13)26-11-17(23)20-8-9-25-16-7-5-4-6-15(16)24-2/h4-7,10,12H,3,8-9,11H2,1-2H3,(H,20,23)
InChIKeyJRXUCNZJZCRWNC-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.55
Rot. Bonds9

About 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(2-methoxyphenoxy)ethyl]acetamide

2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(2-methoxyphenoxy)ethyl]acetamide (PubChem CID 8570291) has the molecular formula C19H21N3O3S2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(2-methoxyphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(2-methoxyphenoxy)ethyl]acetamide
PubChem CID8570291
Molecular FormulaC19H21N3O3S2
Molecular Weight403.53 g/mol
Exact Mass403.10
IUPAC Name2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(2-methoxyphenoxy)ethyl]acetamide
SMILESCCc1cc2c(SCC(=O)NCCOc3ccccc3OC)ncnc2s1
InChIInChI=1S/C19H21N3O3S2/c1-3-13-10-14-18(21-12-22-19(14)27-13)26-11-17(23)20-8-9-25-16-7-5-4-6-15(16)24-2/h4-7,10,12H,3,8-9,11H2,1-2H3,(H,20,23)
InChIKeyJRXUCNZJZCRWNC-UHFFFAOYSA-N
XLogP3.55
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-morpholin-4-ylethyl)acetamide
CID 39083157
2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 8570411
N-cyclopropyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 9265700
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 39084934
2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-propylacetamide
CID 4809970
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(3-methoxypropyl)acetamide
CID 39084926
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]isoindole-1,3-dione
CID 4826571
N-[[5-[2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]thiophen-2-yl]methyl]acetamide
CID 8521680
2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 8828725
1-(4-chlorophenyl)-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
CID 696855
N-[2-(2-methoxyphenoxy)ethyl]-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8682552
2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 8570360

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(2-methoxyphenoxy)ethyl]acetamide?
The IUPAC name of 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(2-methoxyphenoxy)ethyl]acetamide (CID 8570291) is 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(2-methoxyphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(2-methoxyphenoxy)ethyl]acetamide?
The canonical SMILES for 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(2-methoxyphenoxy)ethyl]acetamide is CCc1cc2c(SCC(=O)NCCOc3ccccc3OC)ncnc2s1.
What is the InChIKey of 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(2-methoxyphenoxy)ethyl]acetamide?
The InChIKey is JRXUCNZJZCRWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S2/c1-3-13-10-14-18(21-12-22-19(14)27-13)26-11-17(23)20-8-9-25-16-7-5-4-6-15(16)24-2/h4-7,10,12H,3,8-9,11H2,1-2H3,(H,20,23).
What are the key properties of 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(2-methoxyphenoxy)ethyl]acetamide?
2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(2-methoxyphenoxy)ethyl]acetamide has a molecular weight of 403.53 g/mol, XLogP of 3.55, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(2-methoxyphenoxy)ethyl]acetamide is sourced from PubChem (CID 8570291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).