N-ethyl-N-(2-ethylsulfanylphenyl)acetamide

C12H17NOS — CID 102432024

IUPACN-ethyl-N-(2-ethylsulfanylphenyl)acetamide
SMILESCCSc1ccccc1N(CC)C(C)=O
InChIInChI=1S/C12H17NOS/c1-4-13(10(3)14)11-8-6-7-9-12(11)15-5-2/h6-9H,4-5H2,1-3H3
InChIKeyNQPSPJAXMZZQTP-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.17
Rot. Bonds4

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

N-ethyl-N-(2-ethylsulfanylphenyl)acetamide (PubChem CID 102432024) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is N-ethyl-N-(2-ethylsulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-(2-ethylsulfanylphenyl)acetamide
PubChem CID102432024
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC NameN-ethyl-N-(2-ethylsulfanylphenyl)acetamide
SMILESCCSc1ccccc1N(CC)C(C)=O
InChIInChI=1S/C12H17NOS/c1-4-13(10(3)14)11-8-6-7-9-12(11)15-5-2/h6-9H,4-5H2,1-3H3
InChIKeyNQPSPJAXMZZQTP-UHFFFAOYSA-N
XLogP3.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-ethylsulfanylphenyl)acetamide?
The IUPAC name of N-ethyl-N-(2-ethylsulfanylphenyl)acetamide (CID 102432024) is N-ethyl-N-(2-ethylsulfanylphenyl)acetamide.
What is the SMILES notation for N-ethyl-N-(2-ethylsulfanylphenyl)acetamide?
The canonical SMILES for N-ethyl-N-(2-ethylsulfanylphenyl)acetamide is CCSc1ccccc1N(CC)C(C)=O.
What is the InChIKey of N-ethyl-N-(2-ethylsulfanylphenyl)acetamide?
The InChIKey is NQPSPJAXMZZQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-4-13(10(3)14)11-8-6-7-9-12(11)15-5-2/h6-9H,4-5H2,1-3H3.
What are the key properties of N-ethyl-N-(2-ethylsulfanylphenyl)acetamide?
N-ethyl-N-(2-ethylsulfanylphenyl)acetamide has a molecular weight of 223.34 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-ethylsulfanylphenyl)acetamide is sourced from PubChem (CID 102432024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).