3-cyclopentyl-N-(2-methylsulfanylphenyl)propanamide

C15H21NOS — CID 112789217

IUPAC3-cyclopentyl-N-(2-methylsulfanylphenyl)propanamide
SMILESCSc1ccccc1NC(=O)CCC1CCCC1
InChIInChI=1S/C15H21NOS/c1-18-14-9-5-4-8-13(14)16-15(17)11-10-12-6-2-3-7-12/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H,16,17)
InChIKeyICIRIAFXPZIQOK-UHFFFAOYSA-N
MW263.41 g/mol
LogP4.32
Rot. Bonds5

About 3-cyclopentyl-N-(2-methylsulfanylphenyl)propanamide

3-cyclopentyl-N-(2-methylsulfanylphenyl)propanamide (PubChem CID 112789217) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 3-cyclopentyl-N-(2-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-(2-methylsulfanylphenyl)propanamide
PubChem CID112789217
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name3-cyclopentyl-N-(2-methylsulfanylphenyl)propanamide
SMILESCSc1ccccc1NC(=O)CCC1CCCC1
InChIInChI=1S/C15H21NOS/c1-18-14-9-5-4-8-13(14)16-15(17)11-10-12-6-2-3-7-12/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H,16,17)
InChIKeyICIRIAFXPZIQOK-UHFFFAOYSA-N
XLogP4.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N'-(2-methylsulfanylphenyl)-N-(oxan-2-ylmethyl)butanediamide
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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-(2-methylsulfanylphenyl)propanamide?
The IUPAC name of 3-cyclopentyl-N-(2-methylsulfanylphenyl)propanamide (CID 112789217) is 3-cyclopentyl-N-(2-methylsulfanylphenyl)propanamide.
What is the SMILES notation for 3-cyclopentyl-N-(2-methylsulfanylphenyl)propanamide?
The canonical SMILES for 3-cyclopentyl-N-(2-methylsulfanylphenyl)propanamide is CSc1ccccc1NC(=O)CCC1CCCC1.
What is the InChIKey of 3-cyclopentyl-N-(2-methylsulfanylphenyl)propanamide?
The InChIKey is ICIRIAFXPZIQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-18-14-9-5-4-8-13(14)16-15(17)11-10-12-6-2-3-7-12/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H,16,17).
What are the key properties of 3-cyclopentyl-N-(2-methylsulfanylphenyl)propanamide?
3-cyclopentyl-N-(2-methylsulfanylphenyl)propanamide has a molecular weight of 263.41 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-(2-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 112789217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).