2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide

C21H26N4O3S2 — CID 46523909

IUPAC2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
SMILESCc1ccc(C(CNC(=O)CSc2ncnc3sc(C)c(C)c23)N2CCOCC2)o1
InChIInChI=1S/C21H26N4O3S2/c1-13-4-5-17(28-13)16(25-6-8-27-9-7-25)10-22-18(26)11-29-20-19-14(2)15(3)30-21(19)24-12-23-20/h4-5,12,16H,6-11H2,1-3H3,(H,22,26)
InChIKeyZYQGIJNONIGQSV-UHFFFAOYSA-N
MW446.60 g/mol
LogP3.49
Rot. Bonds7

About 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide

2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide (PubChem CID 46523909) has the molecular formula C21H26N4O3S2 and a molecular weight of 446.60 g/mol. Its IUPAC name is 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide.

Molecular Properties

Compound Name2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
PubChem CID46523909
Molecular FormulaC21H26N4O3S2
Molecular Weight446.60 g/mol
Exact Mass446.14
IUPAC Name2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
SMILESCc1ccc(C(CNC(=O)CSc2ncnc3sc(C)c(C)c23)N2CCOCC2)o1
InChIInChI=1S/C21H26N4O3S2/c1-13-4-5-17(28-13)16(25-6-8-27-9-7-25)10-22-18(26)11-29-20-19-14(2)15(3)30-21(19)24-12-23-20/h4-5,12,16H,6-11H2,1-3H3,(H,22,26)
InChIKeyZYQGIJNONIGQSV-UHFFFAOYSA-N
XLogP3.49
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methylpropyl)acetamide
CID 1412618
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-phenylsulfanylacetamide
CID 134039005
2-amino-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 119837790
2-(methylamino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 120703417
3-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]butanamide
CID 51283060
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 42907187
N-(2,6-dimethylphenyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 1144552
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxo-4-phenylbutanamide
CID 51283099
2-(cyclopropylmethylamino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride
CID 119837781
4-ethyl-5-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
CID 51283119
N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-pyrazol-1-ylacetamide
CID 94177106
2-(4-fluorophenoxy)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 18164114

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide?
The IUPAC name of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide (CID 46523909) is 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide.
What is the SMILES notation for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide?
The canonical SMILES for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide is Cc1ccc(C(CNC(=O)CSc2ncnc3sc(C)c(C)c23)N2CCOCC2)o1.
What is the InChIKey of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide?
The InChIKey is ZYQGIJNONIGQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3S2/c1-13-4-5-17(28-13)16(25-6-8-27-9-7-25)10-22-18(26)11-29-20-19-14(2)15(3)30-21(19)24-12-23-20/h4-5,12,16H,6-11H2,1-3H3,(H,22,26).
What are the key properties of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide?
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide has a molecular weight of 446.60 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide is sourced from PubChem (CID 46523909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).