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

C17H17N3O2S2 — CID 6491564

IUPAC2-(3,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2nc3sc(C)cc3c(=O)n2C)cc1
InChIInChI=1S/C17H17N3O2S2/c1-10-4-6-12(7-5-10)18-14(21)9-23-17-19-15-13(8-11(2)24-15)16(22)20(17)3/h4-8H,9H2,1-3H3,(H,18,21)
InChIKeyABBQHFLHBVNVMX-UHFFFAOYSA-N
MW359.48 g/mol
LogP3.34
Rot. Bonds4

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

2-(3,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide (PubChem CID 6491564) has the molecular formula C17H17N3O2S2 and a molecular weight of 359.48 g/mol. Its IUPAC name is 2-(3,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
PubChem CID6491564
Molecular FormulaC17H17N3O2S2
Molecular Weight359.48 g/mol
Exact Mass359.08
IUPAC Name2-(3,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2nc3sc(C)cc3c(=O)n2C)cc1
InChIInChI=1S/C17H17N3O2S2/c1-10-4-6-12(7-5-10)18-14(21)9-23-17-19-15-13(8-11(2)24-15)16(22)20(17)3/h4-8H,9H2,1-3H3,(H,18,21)
InChIKeyABBQHFLHBVNVMX-UHFFFAOYSA-N
XLogP3.34
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 53.34
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-(4-methylphenyl)acetamide?
The IUPAC name of 2-(3,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide (CID 6491564) is 2-(3,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(3,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(3,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CSc2nc3sc(C)cc3c(=O)n2C)cc1.
What is the InChIKey of 2-(3,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide?
The InChIKey is ABBQHFLHBVNVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S2/c1-10-4-6-12(7-5-10)18-14(21)9-23-17-19-15-13(8-11(2)24-15)16(22)20(17)3/h4-8H,9H2,1-3H3,(H,18,21).
What are the key properties of 2-(3,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide?
2-(3,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide has a molecular weight of 359.48 g/mol, XLogP of 3.34, 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-(4-methylphenyl)acetamide is sourced from PubChem (CID 6491564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).