3-(4-methylsulfanylphenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide

C18H25NO2S — CID 122276240

IUPAC3-(4-methylsulfanylphenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide
SMILESCSc1ccc(CCC(=O)NC2CCC23CCOCC3)cc1
InChIInChI=1S/C18H25NO2S/c1-22-15-5-2-14(3-6-15)4-7-17(20)19-16-8-9-18(16)10-12-21-13-11-18/h2-3,5-6,16H,4,7-13H2,1H3,(H,19,20)
InChIKeyQHDZDHKSKPUSKX-UHFFFAOYSA-N
MW319.47 g/mol
LogP3.42
Rot. Bonds5

About 3-(4-methylsulfanylphenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide

3-(4-methylsulfanylphenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide (PubChem CID 122276240) has the molecular formula C18H25NO2S and a molecular weight of 319.47 g/mol. Its IUPAC name is 3-(4-methylsulfanylphenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide.

Molecular Properties

Compound Name3-(4-methylsulfanylphenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide
PubChem CID122276240
Molecular FormulaC18H25NO2S
Molecular Weight319.47 g/mol
Exact Mass319.16
IUPAC Name3-(4-methylsulfanylphenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide
SMILESCSc1ccc(CCC(=O)NC2CCC23CCOCC3)cc1
InChIInChI=1S/C18H25NO2S/c1-22-15-5-2-14(3-6-15)4-7-17(20)19-16-8-9-18(16)10-12-21-13-11-18/h2-3,5-6,16H,4,7-13H2,1H3,(H,19,20)
InChIKeyQHDZDHKSKPUSKX-UHFFFAOYSA-N
XLogP3.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide
CID 122276174
2-(4-fluorophenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)acetamide
CID 122276140
3-(4-methylsulfanylphenyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]propanamide
CID 86265215
4-[3-[(5,5-difluorooxepan-4-yl)amino]-3-oxopropyl]benzoic acid
CID 167903896
N-hydroxy-3-(4-methylsulfanylphenyl)propanamide
CID 59191041
2-(2-methoxyphenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)acetamide
CID 122276372
1-[(4-methoxyphenyl)methyl]-3-(7-oxaspiro[3.5]nonan-3-yl)urea
CID 122276518
4-fluoro-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide
CID 122276126
N-(7-oxaspiro[3.5]nonan-3-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 122276198
N-[7-(3-methylsulfonylpropanoyl)-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide
CID 131691820
N-(7-oxaspiro[3.5]nonan-3-yl)-4-phenyloxane-4-carboxamide
CID 122276201
1-cyclobutyl-3-(4-methylsulfanylphenyl)propan-1-one
CID 24726014

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfanylphenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide?
The IUPAC name of 3-(4-methylsulfanylphenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide (CID 122276240) is 3-(4-methylsulfanylphenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide.
What is the SMILES notation for 3-(4-methylsulfanylphenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide?
The canonical SMILES for 3-(4-methylsulfanylphenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide is CSc1ccc(CCC(=O)NC2CCC23CCOCC3)cc1.
What is the InChIKey of 3-(4-methylsulfanylphenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide?
The InChIKey is QHDZDHKSKPUSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2S/c1-22-15-5-2-14(3-6-15)4-7-17(20)19-16-8-9-18(16)10-12-21-13-11-18/h2-3,5-6,16H,4,7-13H2,1H3,(H,19,20).
What are the key properties of 3-(4-methylsulfanylphenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide?
3-(4-methylsulfanylphenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide has a molecular weight of 319.47 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfanylphenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)propanamide is sourced from PubChem (CID 122276240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).