N-(2-methoxyethyl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

C17H17N3O2S2 — CID 2088350

IUPACN-(2-methoxyethyl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCOCCNC(=O)CSc1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C17H17N3O2S2/c1-22-8-7-18-15(21)10-23-16-13-9-14(12-5-3-2-4-6-12)24-17(13)20-11-19-16/h2-6,9,11H,7-8,10H2,1H3,(H,18,21)
InChIKeyJHFUFUPTXDHQQH-UHFFFAOYSA-N
MW359.48 g/mol
LogP3.21
Rot. Bonds7

About N-(2-methoxyethyl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

N-(2-methoxyethyl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (PubChem CID 2088350) has the molecular formula C17H17N3O2S2 and a molecular weight of 359.48 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
PubChem CID2088350
Molecular FormulaC17H17N3O2S2
Molecular Weight359.48 g/mol
Exact Mass359.08
IUPAC NameN-(2-methoxyethyl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCOCCNC(=O)CSc1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C17H17N3O2S2/c1-22-8-7-18-15(21)10-23-16-13-9-14(12-5-3-2-4-6-12)24-17(13)20-11-19-16/h2-6,9,11H,7-8,10H2,1H3,(H,18,21)
InChIKeyJHFUFUPTXDHQQH-UHFFFAOYSA-N
XLogP3.21
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The IUPAC name of N-(2-methoxyethyl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (CID 2088350) is N-(2-methoxyethyl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is COCCNC(=O)CSc1ncnc2sc(-c3ccccc3)cc12.
What is the InChIKey of N-(2-methoxyethyl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The InChIKey is JHFUFUPTXDHQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S2/c1-22-8-7-18-15(21)10-23-16-13-9-14(12-5-3-2-4-6-12)24-17(13)20-11-19-16/h2-6,9,11H,7-8,10H2,1H3,(H,18,21).
What are the key properties of N-(2-methoxyethyl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
N-(2-methoxyethyl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide has a molecular weight of 359.48 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is sourced from PubChem (CID 2088350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).