N-(oxan-4-yl)-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylsulfanyl)acetamide

C18H25NO2S — CID 71981072

IUPACN-(oxan-4-yl)-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylsulfanyl)acetamide
SMILESO=C(CSC1CCCCc2ccccc21)NC1CCOCC1
InChIInChI=1S/C18H25NO2S/c20-18(19-15-9-11-21-12-10-15)13-22-17-8-4-2-6-14-5-1-3-7-16(14)17/h1,3,5,7,15,17H,2,4,6,8-13H2,(H,19,20)
InChIKeyOSPGXAYXGBCGLX-UHFFFAOYSA-N
MW319.47 g/mol
LogP3.48
Rot. Bonds4

About N-(oxan-4-yl)-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylsulfanyl)acetamide

N-(oxan-4-yl)-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylsulfanyl)acetamide (PubChem CID 71981072) has the molecular formula C18H25NO2S and a molecular weight of 319.47 g/mol. Its IUPAC name is N-(oxan-4-yl)-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylsulfanyl)acetamide
PubChem CID71981072
Molecular FormulaC18H25NO2S
Molecular Weight319.47 g/mol
Exact Mass319.16
IUPAC NameN-(oxan-4-yl)-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylsulfanyl)acetamide
SMILESO=C(CSC1CCCCc2ccccc21)NC1CCOCC1
InChIInChI=1S/C18H25NO2S/c20-18(19-15-9-11-21-12-10-15)13-22-17-8-4-2-6-14-5-1-3-7-16(14)17/h1,3,5,7,15,17H,2,4,6,8-13H2,(H,19,20)
InChIKeyOSPGXAYXGBCGLX-UHFFFAOYSA-N
XLogP3.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylsulfanyl)acetamide?
The IUPAC name of N-(oxan-4-yl)-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylsulfanyl)acetamide (CID 71981072) is N-(oxan-4-yl)-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylsulfanyl)acetamide.
What is the SMILES notation for N-(oxan-4-yl)-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylsulfanyl)acetamide?
The canonical SMILES for N-(oxan-4-yl)-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylsulfanyl)acetamide is O=C(CSC1CCCCc2ccccc21)NC1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylsulfanyl)acetamide?
The InChIKey is OSPGXAYXGBCGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2S/c20-18(19-15-9-11-21-12-10-15)13-22-17-8-4-2-6-14-5-1-3-7-16(14)17/h1,3,5,7,15,17H,2,4,6,8-13H2,(H,19,20).
What are the key properties of N-(oxan-4-yl)-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylsulfanyl)acetamide?
N-(oxan-4-yl)-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylsulfanyl)acetamide has a molecular weight of 319.47 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylsulfanyl)acetamide is sourced from PubChem (CID 71981072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).