2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

C19H19N3O2S2 — CID 24538983

IUPAC2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCCc1cc2c(=O)n(NC(=O)CSc3ccc4c(c3)CCC4)cnc2s1
InChIInChI=1S/C19H19N3O2S2/c1-2-14-9-16-18(26-14)20-11-22(19(16)24)21-17(23)10-25-15-7-6-12-4-3-5-13(12)8-15/h6-9,11H,2-5,10H2,1H3,(H,21,23)
InChIKeySIGUZBPNTVKYBH-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.37
Rot. Bonds5

About 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 24538983) has the molecular formula C19H19N3O2S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID24538983
Molecular FormulaC19H19N3O2S2
Molecular Weight385.51 g/mol
Exact Mass385.09
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCCc1cc2c(=O)n(NC(=O)CSc3ccc4c(c3)CCC4)cnc2s1
InChIInChI=1S/C19H19N3O2S2/c1-2-14-9-16-18(26-14)20-11-22(19(16)24)21-17(23)10-25-15-7-6-12-4-3-5-13(12)8-15/h6-9,11H,2-5,10H2,1H3,(H,21,23)
InChIKeySIGUZBPNTVKYBH-UHFFFAOYSA-N
XLogP3.37
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (CID 24538983) is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is CCc1cc2c(=O)n(NC(=O)CSc3ccc4c(c3)CCC4)cnc2s1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is SIGUZBPNTVKYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S2/c1-2-14-9-16-18(26-14)20-11-22(19(16)24)21-17(23)10-25-15-7-6-12-4-3-5-13(12)8-15/h6-9,11H,2-5,10H2,1H3,(H,21,23).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 385.51 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 24538983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).