2-ethyl-N-(3-methylsulfanylphenyl)hexanamide

C15H23NOS — CID 11839497

IUPAC2-ethyl-N-(3-methylsulfanylphenyl)hexanamide
SMILESCCCCC(CC)C(=O)Nc1cccc(SC)c1
InChIInChI=1S/C15H23NOS/c1-4-6-8-12(5-2)15(17)16-13-9-7-10-14(11-13)18-3/h7,9-12H,4-6,8H2,1-3H3,(H,16,17)
InChIKeySELHYDQARUWFFX-UHFFFAOYSA-N
MW265.42 g/mol
LogP4.56
Rot. Bonds7

About 2-ethyl-N-(3-methylsulfanylphenyl)hexanamide

2-ethyl-N-(3-methylsulfanylphenyl)hexanamide (PubChem CID 11839497) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 2-ethyl-N-(3-methylsulfanylphenyl)hexanamide.

Molecular Properties

Compound Name2-ethyl-N-(3-methylsulfanylphenyl)hexanamide
PubChem CID11839497
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name2-ethyl-N-(3-methylsulfanylphenyl)hexanamide
SMILESCCCCC(CC)C(=O)Nc1cccc(SC)c1
InChIInChI=1S/C15H23NOS/c1-4-6-8-12(5-2)15(17)16-13-9-7-10-14(11-13)18-3/h7,9-12H,4-6,8H2,1-3H3,(H,16,17)
InChIKeySELHYDQARUWFFX-UHFFFAOYSA-N
XLogP4.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(3-methylsulfanylphenyl)hexanamide?
The IUPAC name of 2-ethyl-N-(3-methylsulfanylphenyl)hexanamide (CID 11839497) is 2-ethyl-N-(3-methylsulfanylphenyl)hexanamide.
What is the SMILES notation for 2-ethyl-N-(3-methylsulfanylphenyl)hexanamide?
The canonical SMILES for 2-ethyl-N-(3-methylsulfanylphenyl)hexanamide is CCCCC(CC)C(=O)Nc1cccc(SC)c1.
What is the InChIKey of 2-ethyl-N-(3-methylsulfanylphenyl)hexanamide?
The InChIKey is SELHYDQARUWFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-4-6-8-12(5-2)15(17)16-13-9-7-10-14(11-13)18-3/h7,9-12H,4-6,8H2,1-3H3,(H,16,17).
What are the key properties of 2-ethyl-N-(3-methylsulfanylphenyl)hexanamide?
2-ethyl-N-(3-methylsulfanylphenyl)hexanamide has a molecular weight of 265.42 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(3-methylsulfanylphenyl)hexanamide is sourced from PubChem (CID 11839497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).