2-(3,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-phenylacetamide

C16H15N3O2S2 — CID 6460856

IUPAC2-(3,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-phenylacetamide
SMILESCc1cc2c(=O)n(C)c(SCC(=O)Nc3ccccc3)nc2s1
InChIInChI=1S/C16H15N3O2S2/c1-10-8-12-14(23-10)18-16(19(2)15(12)21)22-9-13(20)17-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H,17,20)
InChIKeyNQMCGNSXEMEQMQ-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.03
Rot. Bonds4

About 2-(3,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-phenylacetamide

2-(3,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-phenylacetamide (PubChem CID 6460856) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-(3,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(3,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-phenylacetamide
PubChem CID6460856
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC Name2-(3,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-phenylacetamide
SMILESCc1cc2c(=O)n(C)c(SCC(=O)Nc3ccccc3)nc2s1
InChIInChI=1S/C16H15N3O2S2/c1-10-8-12-14(23-10)18-16(19(2)15(12)21)22-9-13(20)17-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H,17,20)
InChIKeyNQMCGNSXEMEQMQ-UHFFFAOYSA-N
XLogP3.03
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-phenylacetamide?
The IUPAC name of 2-(3,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-phenylacetamide (CID 6460856) is 2-(3,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-(3,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-(3,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-phenylacetamide is Cc1cc2c(=O)n(C)c(SCC(=O)Nc3ccccc3)nc2s1.
What is the InChIKey of 2-(3,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-phenylacetamide?
The InChIKey is NQMCGNSXEMEQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c1-10-8-12-14(23-10)18-16(19(2)15(12)21)22-9-13(20)17-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H,17,20).
What are the key properties of 2-(3,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-phenylacetamide?
2-(3,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-phenylacetamide has a molecular weight of 345.45 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-phenylacetamide is sourced from PubChem (CID 6460856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).