2-(3-methoxyphenoxy)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide

C19H23NO3S — CID 94870746

IUPAC2-(3-methoxyphenoxy)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide
SMILESCOc1cccc(OCC(=O)NCCSCc2ccc(C)cc2)c1
InChIInChI=1S/C19H23NO3S/c1-15-6-8-16(9-7-15)14-24-11-10-20-19(21)13-23-18-5-3-4-17(12-18)22-2/h3-9,12H,10-11,13-14H2,1-2H3,(H,20,21)
InChIKeyLXPZCMZIZFYJOH-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.43
Rot. Bonds9

About 2-(3-methoxyphenoxy)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide

2-(3-methoxyphenoxy)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide (PubChem CID 94870746) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide
PubChem CID94870746
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name2-(3-methoxyphenoxy)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide
SMILESCOc1cccc(OCC(=O)NCCSCc2ccc(C)cc2)c1
InChIInChI=1S/C19H23NO3S/c1-15-6-8-16(9-7-15)14-24-11-10-20-19(21)13-23-18-5-3-4-17(12-18)22-2/h3-9,12H,10-11,13-14H2,1-2H3,(H,20,21)
InChIKeyLXPZCMZIZFYJOH-UHFFFAOYSA-N
XLogP3.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-methoxyphenoxy)ethyl]-2-(4-methylphenoxy)acetamide
CID 113099802
methyl 3-[[2-(3-methoxyphenoxy)acetyl]amino]propanoate
CID 82018109
N-[3-(3-methoxyphenyl)propyl]-2-(3-methylphenoxy)acetamide
CID 95172598
2-(3-methoxyphenoxy)-N-pentylacetamide
CID 19204008
[2-(2-benzylsulfanylethylamino)-2-oxoethyl] 3,5-dimethoxybenzoate
CID 7874743
(2R)-N-(2-benzylsulfanylethyl)-2-(3-methoxyphenoxy)butanamide
CID 28579105
(2R)-2-(3-methoxyphenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]butanamide
CID 99951170
ethyl 3-[[2-(3-methoxyphenoxy)acetyl]amino]propanoate
CID 47437768
2-(3-methoxyphenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]propanamide
CID 43915835
2-(3,4-dimethylphenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 112977913
2-(3-methoxyphenoxy)-N-prop-2-enylacetamide
CID 19204009
3,4,5-trimethoxy-N-[2-[2-[(4-methylphenyl)methylsulfanyl]ethylamino]-2-oxoethyl]benzamide
CID 27708107

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenoxy)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide?
The IUPAC name of 2-(3-methoxyphenoxy)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide (CID 94870746) is 2-(3-methoxyphenoxy)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide.
What is the SMILES notation for 2-(3-methoxyphenoxy)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide?
The canonical SMILES for 2-(3-methoxyphenoxy)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide is COc1cccc(OCC(=O)NCCSCc2ccc(C)cc2)c1.
What is the InChIKey of 2-(3-methoxyphenoxy)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide?
The InChIKey is LXPZCMZIZFYJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-15-6-8-16(9-7-15)14-24-11-10-20-19(21)13-23-18-5-3-4-17(12-18)22-2/h3-9,12H,10-11,13-14H2,1-2H3,(H,20,21).
What are the key properties of 2-(3-methoxyphenoxy)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide?
2-(3-methoxyphenoxy)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide has a molecular weight of 345.46 g/mol, XLogP of 3.43, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide is sourced from PubChem (CID 94870746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).