N-ethyl-N-(2-hexylsulfanylphenyl)acetamide

C16H25NOS — CID 102432025

IUPACN-ethyl-N-(2-hexylsulfanylphenyl)acetamide
SMILESCCCCCCSc1ccccc1N(CC)C(C)=O
InChIInChI=1S/C16H25NOS/c1-4-6-7-10-13-19-16-12-9-8-11-15(16)17(5-2)14(3)18/h8-9,11-12H,4-7,10,13H2,1-3H3
InChIKeyGSQFZHBFNLINAH-UHFFFAOYSA-N
MW279.45 g/mol
LogP4.73
Rot. Bonds8

About N-ethyl-N-(2-hexylsulfanylphenyl)acetamide

N-ethyl-N-(2-hexylsulfanylphenyl)acetamide (PubChem CID 102432025) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is N-ethyl-N-(2-hexylsulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hexylsulfanylphenyl)acetamide
PubChem CID102432025
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC NameN-ethyl-N-(2-hexylsulfanylphenyl)acetamide
SMILESCCCCCCSc1ccccc1N(CC)C(C)=O
InChIInChI=1S/C16H25NOS/c1-4-6-7-10-13-19-16-12-9-8-11-15(16)17(5-2)14(3)18/h8-9,11-12H,4-7,10,13H2,1-3H3
InChIKeyGSQFZHBFNLINAH-UHFFFAOYSA-N
XLogP4.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hexylsulfanylphenyl)acetamide?
The IUPAC name of N-ethyl-N-(2-hexylsulfanylphenyl)acetamide (CID 102432025) is N-ethyl-N-(2-hexylsulfanylphenyl)acetamide.
What is the SMILES notation for N-ethyl-N-(2-hexylsulfanylphenyl)acetamide?
The canonical SMILES for N-ethyl-N-(2-hexylsulfanylphenyl)acetamide is CCCCCCSc1ccccc1N(CC)C(C)=O.
What is the InChIKey of N-ethyl-N-(2-hexylsulfanylphenyl)acetamide?
The InChIKey is GSQFZHBFNLINAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-4-6-7-10-13-19-16-12-9-8-11-15(16)17(5-2)14(3)18/h8-9,11-12H,4-7,10,13H2,1-3H3.
What are the key properties of N-ethyl-N-(2-hexylsulfanylphenyl)acetamide?
N-ethyl-N-(2-hexylsulfanylphenyl)acetamide has a molecular weight of 279.45 g/mol, XLogP of 4.73, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hexylsulfanylphenyl)acetamide is sourced from PubChem (CID 102432025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).