2-(4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-prop-2-enylacetamide

C17H15N3O2S2 — CID 8899214

IUPAC2-(4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CSc1nc2sccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C17H15N3O2S2/c1-2-9-18-14(21)11-24-17-19-15-13(8-10-23-15)16(22)20(17)12-6-4-3-5-7-12/h2-8,10H,1,9,11H2,(H,18,21)
InChIKeyBOEGWPBRVJTKMI-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.84
Rot. Bonds6

About 2-(4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-prop-2-enylacetamide

2-(4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-prop-2-enylacetamide (PubChem CID 8899214) has the molecular formula C17H15N3O2S2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-(4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-prop-2-enylacetamide
PubChem CID8899214
Molecular FormulaC17H15N3O2S2
Molecular Weight357.46 g/mol
Exact Mass357.06
IUPAC Name2-(4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CSc1nc2sccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C17H15N3O2S2/c1-2-9-18-14(21)11-24-17-19-15-13(8-10-23-15)16(22)20(17)12-6-4-3-5-7-12/h2-8,10H,1,9,11H2,(H,18,21)
InChIKeyBOEGWPBRVJTKMI-UHFFFAOYSA-N
XLogP2.84
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-prop-2-enylacetamide?
The IUPAC name of 2-(4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-prop-2-enylacetamide (CID 8899214) is 2-(4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-prop-2-enylacetamide?
The canonical SMILES for 2-(4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-prop-2-enylacetamide is C=CCNC(=O)CSc1nc2sccc2c(=O)n1-c1ccccc1.
What is the InChIKey of 2-(4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-prop-2-enylacetamide?
The InChIKey is BOEGWPBRVJTKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S2/c1-2-9-18-14(21)11-24-17-19-15-13(8-10-23-15)16(22)20(17)12-6-4-3-5-7-12/h2-8,10H,1,9,11H2,(H,18,21).
What are the key properties of 2-(4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-prop-2-enylacetamide?
2-(4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-prop-2-enylacetamide has a molecular weight of 357.46 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-prop-2-enylacetamide is sourced from PubChem (CID 8899214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).