2-(2-methoxy-4-prop-2-enylphenoxy)-N-(3-methylsulfanylphenyl)acetamide

C19H21NO3S — CID 26086828

IUPAC2-(2-methoxy-4-prop-2-enylphenoxy)-N-(3-methylsulfanylphenyl)acetamide
SMILESC=CCc1ccc(OCC(=O)Nc2cccc(SC)c2)c(OC)c1
InChIInChI=1S/C19H21NO3S/c1-4-6-14-9-10-17(18(11-14)22-2)23-13-19(21)20-15-7-5-8-16(12-15)24-3/h4-5,7-12H,1,6,13H2,2-3H3,(H,20,21)
InChIKeyRFOLQQROTXJXNW-UHFFFAOYSA-N
MW343.45 g/mol
LogP4.16
Rot. Bonds8

About 2-(2-methoxy-4-prop-2-enylphenoxy)-N-(3-methylsulfanylphenyl)acetamide

2-(2-methoxy-4-prop-2-enylphenoxy)-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 26086828) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-(2-methoxy-4-prop-2-enylphenoxy)-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-methoxy-4-prop-2-enylphenoxy)-N-(3-methylsulfanylphenyl)acetamide
PubChem CID26086828
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC Name2-(2-methoxy-4-prop-2-enylphenoxy)-N-(3-methylsulfanylphenyl)acetamide
SMILESC=CCc1ccc(OCC(=O)Nc2cccc(SC)c2)c(OC)c1
InChIInChI=1S/C19H21NO3S/c1-4-6-14-9-10-17(18(11-14)22-2)23-13-19(21)20-15-7-5-8-16(12-15)24-3/h4-5,7-12H,1,6,13H2,2-3H3,(H,20,21)
InChIKeyRFOLQQROTXJXNW-UHFFFAOYSA-N
XLogP4.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethynylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 30779256
S-[4-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56529727
N-(4-ethoxyphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 26915649
2-(2-methoxy-4-prop-2-enylphenoxy)-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]acetamide
CID 51949265
2-(2-methoxy-4-prop-2-enylphenoxy)acetohydrazide
CID 764178
[2-(3-methylsulfanylanilino)-2-oxoethyl] 3,4-dimethoxy-5-prop-2-enylbenzoate
CID 26991748
N-(3-methoxyphenyl)-2-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide
CID 47005052
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 24683432
N-(2-bromophenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 26216414
N,N-diethyl-4-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]benzamide
CID 8503813
N-(2-methoxy-5-methylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 26216393
N-(2-acetylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 18168528

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-prop-2-enylphenoxy)-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(2-methoxy-4-prop-2-enylphenoxy)-N-(3-methylsulfanylphenyl)acetamide (CID 26086828) is 2-(2-methoxy-4-prop-2-enylphenoxy)-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(2-methoxy-4-prop-2-enylphenoxy)-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(2-methoxy-4-prop-2-enylphenoxy)-N-(3-methylsulfanylphenyl)acetamide is C=CCc1ccc(OCC(=O)Nc2cccc(SC)c2)c(OC)c1.
What is the InChIKey of 2-(2-methoxy-4-prop-2-enylphenoxy)-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is RFOLQQROTXJXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-4-6-14-9-10-17(18(11-14)22-2)23-13-19(21)20-15-7-5-8-16(12-15)24-3/h4-5,7-12H,1,6,13H2,2-3H3,(H,20,21).
What are the key properties of 2-(2-methoxy-4-prop-2-enylphenoxy)-N-(3-methylsulfanylphenyl)acetamide?
2-(2-methoxy-4-prop-2-enylphenoxy)-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 343.45 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-prop-2-enylphenoxy)-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 26086828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).