2-(3-ethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide

C18H21N3O2S3 — CID 7743810

IUPAC2-(3-ethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide
SMILESCCn1c(SCC(=O)NCC(C)C)nc2scc(-c3cccs3)c2c1=O
InChIInChI=1S/C18H21N3O2S3/c1-4-21-17(23)15-12(13-6-5-7-24-13)9-25-16(15)20-18(21)26-10-14(22)19-8-11(2)3/h5-7,9,11H,4,8,10H2,1-3H3,(H,19,22)
InChIKeyGBOQCXDKRSZTAQ-UHFFFAOYSA-N
MW407.59 g/mol
LogP4.07
Rot. Bonds7

About 2-(3-ethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide

2-(3-ethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide (PubChem CID 7743810) has the molecular formula C18H21N3O2S3 and a molecular weight of 407.59 g/mol. Its IUPAC name is 2-(3-ethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(3-ethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide
PubChem CID7743810
Molecular FormulaC18H21N3O2S3
Molecular Weight407.59 g/mol
Exact Mass407.08
IUPAC Name2-(3-ethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide
SMILESCCn1c(SCC(=O)NCC(C)C)nc2scc(-c3cccs3)c2c1=O
InChIInChI=1S/C18H21N3O2S3/c1-4-21-17(23)15-12(13-6-5-7-24-13)9-25-16(15)20-18(21)26-10-14(22)19-8-11(2)3/h5-7,9,11H,4,8,10H2,1-3H3,(H,19,22)
InChIKeyGBOQCXDKRSZTAQ-UHFFFAOYSA-N
XLogP4.07
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.59
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-ethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide
CID 4821340
N-(dicyclopropylmethyl)-2-(3-ethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 30093050
N-cyclopentyl-2-(3-ethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 7363940
N-(5-chloro-2-pyridinyl)-2-(3-ethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 24594086
N-butyl-2-(4-oxo-3-prop-2-enyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 7963000
3-ethyl-2-(3-methylsulfonylpropylsulfanyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one
CID 86887711
4-methyl-3-[[2-[3-(2-methylpropyl)-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]benzoate
CID 2458952
3-ethyl-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one
CID 24631203
methyl 4-[[2-(4-oxo-3-prop-2-enyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzoate
CID 2404295
2-(3-methyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 35790783
2-(3-ethyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-pentylacetamide
CID 8809719
N-methyl-2-(4-oxo-3-phenyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 7743776

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(3-ethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide (CID 7743810) is 2-(3-ethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(3-ethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(3-ethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide is CCn1c(SCC(=O)NCC(C)C)nc2scc(-c3cccs3)c2c1=O.
What is the InChIKey of 2-(3-ethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide?
The InChIKey is GBOQCXDKRSZTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S3/c1-4-21-17(23)15-12(13-6-5-7-24-13)9-25-16(15)20-18(21)26-10-14(22)19-8-11(2)3/h5-7,9,11H,4,8,10H2,1-3H3,(H,19,22).
What are the key properties of 2-(3-ethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide?
2-(3-ethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide has a molecular weight of 407.59 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 7743810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).