N-acetyl-2-ethylsulfanyl-N-(2-prop-2-enylphenyl)acetamide

C15H19NO2S — CID 10660175

IUPACN-acetyl-2-ethylsulfanyl-N-(2-prop-2-enylphenyl)acetamide
SMILESC=CCc1ccccc1N(C(C)=O)C(=O)CSCC
InChIInChI=1S/C15H19NO2S/c1-4-8-13-9-6-7-10-14(13)16(12(3)17)15(18)11-19-5-2/h4,6-7,9-10H,1,5,8,11H2,2-3H3
InChIKeyJEOXDKBSVRUZAD-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.05
Rot. Bonds6

About N-acetyl-2-ethylsulfanyl-N-(2-prop-2-enylphenyl)acetamide

N-acetyl-2-ethylsulfanyl-N-(2-prop-2-enylphenyl)acetamide (PubChem CID 10660175) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is N-acetyl-2-ethylsulfanyl-N-(2-prop-2-enylphenyl)acetamide.

Molecular Properties

Compound NameN-acetyl-2-ethylsulfanyl-N-(2-prop-2-enylphenyl)acetamide
PubChem CID10660175
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC NameN-acetyl-2-ethylsulfanyl-N-(2-prop-2-enylphenyl)acetamide
SMILESC=CCc1ccccc1N(C(C)=O)C(=O)CSCC
InChIInChI=1S/C15H19NO2S/c1-4-8-13-9-6-7-10-14(13)16(12(3)17)15(18)11-19-5-2/h4,6-7,9-10H,1,5,8,11H2,2-3H3
InChIKeyJEOXDKBSVRUZAD-UHFFFAOYSA-N
XLogP3.05
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-2-ethylsulfanyl-N-(2-prop-2-enylphenyl)acetamide?
The IUPAC name of N-acetyl-2-ethylsulfanyl-N-(2-prop-2-enylphenyl)acetamide (CID 10660175) is N-acetyl-2-ethylsulfanyl-N-(2-prop-2-enylphenyl)acetamide.
What is the SMILES notation for N-acetyl-2-ethylsulfanyl-N-(2-prop-2-enylphenyl)acetamide?
The canonical SMILES for N-acetyl-2-ethylsulfanyl-N-(2-prop-2-enylphenyl)acetamide is C=CCc1ccccc1N(C(C)=O)C(=O)CSCC.
What is the InChIKey of N-acetyl-2-ethylsulfanyl-N-(2-prop-2-enylphenyl)acetamide?
The InChIKey is JEOXDKBSVRUZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-4-8-13-9-6-7-10-14(13)16(12(3)17)15(18)11-19-5-2/h4,6-7,9-10H,1,5,8,11H2,2-3H3.
What are the key properties of N-acetyl-2-ethylsulfanyl-N-(2-prop-2-enylphenyl)acetamide?
N-acetyl-2-ethylsulfanyl-N-(2-prop-2-enylphenyl)acetamide has a molecular weight of 277.39 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-2-ethylsulfanyl-N-(2-prop-2-enylphenyl)acetamide is sourced from PubChem (CID 10660175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).