2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(2-methylpropyl)acetamide

C13H19NO2S — CID 71933568

IUPAC2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CC1OCCc2ccsc21
InChIInChI=1S/C13H19NO2S/c1-9(2)8-14-12(15)7-11-13-10(3-5-16-11)4-6-17-13/h4,6,9,11H,3,5,7-8H2,1-2H3,(H,14,15)
InChIKeyJVPJJGMTTSBZPE-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.52
Rot. Bonds4

About 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(2-methylpropyl)acetamide

2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(2-methylpropyl)acetamide (PubChem CID 71933568) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(2-methylpropyl)acetamide
PubChem CID71933568
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CC1OCCc2ccsc21
InChIInChI=1S/C13H19NO2S/c1-9(2)8-14-12(15)7-11-13-10(3-5-16-11)4-6-17-13/h4,6,9,11H,3,5,7-8H2,1-2H3,(H,14,15)
InChIKeyJVPJJGMTTSBZPE-UHFFFAOYSA-N
XLogP2.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(2-methylpropyl)acetamide (CID 71933568) is 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CC1OCCc2ccsc21.
What is the InChIKey of 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(2-methylpropyl)acetamide?
The InChIKey is JVPJJGMTTSBZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-9(2)8-14-12(15)7-11-13-10(3-5-16-11)4-6-17-13/h4,6,9,11H,3,5,7-8H2,1-2H3,(H,14,15).
What are the key properties of 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(2-methylpropyl)acetamide?
2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(2-methylpropyl)acetamide has a molecular weight of 253.37 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 71933568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).