N-butyl-N-ethyl-2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

C17H25N3OS2 — CID 39075413

IUPACN-butyl-N-ethyl-2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCCCCN(CC)C(=O)CSc1nc(C)nc2sc(CC)cc12
InChIInChI=1S/C17H25N3OS2/c1-5-8-9-20(7-3)15(21)11-22-16-14-10-13(6-2)23-17(14)19-12(4)18-16/h10H,5-9,11H2,1-4H3
InChIKeyDQQWKUJPSTXZJZ-UHFFFAOYSA-N
MW351.54 g/mol
LogP4.30
Rot. Bonds8

About N-butyl-N-ethyl-2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

N-butyl-N-ethyl-2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (PubChem CID 39075413) has the molecular formula C17H25N3OS2 and a molecular weight of 351.54 g/mol. Its IUPAC name is N-butyl-N-ethyl-2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
PubChem CID39075413
Molecular FormulaC17H25N3OS2
Molecular Weight351.54 g/mol
Exact Mass351.14
IUPAC NameN-butyl-N-ethyl-2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCCCCN(CC)C(=O)CSc1nc(C)nc2sc(CC)cc12
InChIInChI=1S/C17H25N3OS2/c1-5-8-9-20(7-3)15(21)11-22-16-14-10-13(6-2)23-17(14)19-12(4)18-16/h10H,5-9,11H2,1-4H3
InChIKeyDQQWKUJPSTXZJZ-UHFFFAOYSA-N
XLogP4.30
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.54
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methylacetamide
CID 39075440
N-cyclohexyl-2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methylacetamide
CID 39075427
1-(azepan-1-yl)-2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
CID 39075356
N-(1,3-benzodioxol-5-ylmethyl)-2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 39083209
2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 35477134
ethyl 2-[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetate
CID 103334493
N-butyl-2-(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methylacetamide
CID 28692371
N,N-diethyl-2-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 7995915
N,N-diethyl-2-(3-ethylquinolin-2-yl)sulfanylacetamide
CID 857646
2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-butylamino]acetamide
CID 103326538
2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 6460527
2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 8521681

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The IUPAC name of N-butyl-N-ethyl-2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (CID 39075413) is N-butyl-N-ethyl-2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-butyl-N-ethyl-2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The canonical SMILES for N-butyl-N-ethyl-2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is CCCCN(CC)C(=O)CSc1nc(C)nc2sc(CC)cc12.
What is the InChIKey of N-butyl-N-ethyl-2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The InChIKey is DQQWKUJPSTXZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3OS2/c1-5-8-9-20(7-3)15(21)11-22-16-14-10-13(6-2)23-17(14)19-12(4)18-16/h10H,5-9,11H2,1-4H3.
What are the key properties of N-butyl-N-ethyl-2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
N-butyl-N-ethyl-2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide has a molecular weight of 351.54 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is sourced from PubChem (CID 39075413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).