N-ethyl-N-(2-propylsulfanylphenyl)acetamide

C13H19NOS — CID 122211655

IUPACN-ethyl-N-(2-propylsulfanylphenyl)acetamide
SMILESCCCSc1ccccc1N(CC)C(C)=O
InChIInChI=1S/C13H19NOS/c1-4-10-16-13-9-7-6-8-12(13)14(5-2)11(3)15/h6-9H,4-5,10H2,1-3H3
InChIKeyFRFUYVYOQYQLDB-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.56
Rot. Bonds5

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

N-ethyl-N-(2-propylsulfanylphenyl)acetamide (PubChem CID 122211655) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is N-ethyl-N-(2-propylsulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-(2-propylsulfanylphenyl)acetamide
PubChem CID122211655
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC NameN-ethyl-N-(2-propylsulfanylphenyl)acetamide
SMILESCCCSc1ccccc1N(CC)C(C)=O
InChIInChI=1S/C13H19NOS/c1-4-10-16-13-9-7-6-8-12(13)14(5-2)11(3)15/h6-9H,4-5,10H2,1-3H3
InChIKeyFRFUYVYOQYQLDB-UHFFFAOYSA-N
XLogP3.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.56
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-propylsulfanylphenyl)acetamide?
The IUPAC name of N-ethyl-N-(2-propylsulfanylphenyl)acetamide (CID 122211655) is N-ethyl-N-(2-propylsulfanylphenyl)acetamide.
What is the SMILES notation for N-ethyl-N-(2-propylsulfanylphenyl)acetamide?
The canonical SMILES for N-ethyl-N-(2-propylsulfanylphenyl)acetamide is CCCSc1ccccc1N(CC)C(C)=O.
What is the InChIKey of N-ethyl-N-(2-propylsulfanylphenyl)acetamide?
The InChIKey is FRFUYVYOQYQLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-4-10-16-13-9-7-6-8-12(13)14(5-2)11(3)15/h6-9H,4-5,10H2,1-3H3.
What are the key properties of N-ethyl-N-(2-propylsulfanylphenyl)acetamide?
N-ethyl-N-(2-propylsulfanylphenyl)acetamide has a molecular weight of 237.37 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-propylsulfanylphenyl)acetamide is sourced from PubChem (CID 122211655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).