N-(2-benzylsulfanylethyl)-2-(4-methoxy-3-methylphenyl)acetamide

C19H23NO2S — CID 100765199

IUPACN-(2-benzylsulfanylethyl)-2-(4-methoxy-3-methylphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCCSCc2ccccc2)cc1C
InChIInChI=1S/C19H23NO2S/c1-15-12-17(8-9-18(15)22-2)13-19(21)20-10-11-23-14-16-6-4-3-5-7-16/h3-9,12H,10-11,13-14H2,1-2H3,(H,20,21)
InChIKeyUJNKHYONEPFPDS-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.60
Rot. Bonds8

About N-(2-benzylsulfanylethyl)-2-(4-methoxy-3-methylphenyl)acetamide

N-(2-benzylsulfanylethyl)-2-(4-methoxy-3-methylphenyl)acetamide (PubChem CID 100765199) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is N-(2-benzylsulfanylethyl)-2-(4-methoxy-3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-benzylsulfanylethyl)-2-(4-methoxy-3-methylphenyl)acetamide
PubChem CID100765199
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC NameN-(2-benzylsulfanylethyl)-2-(4-methoxy-3-methylphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCCSCc2ccccc2)cc1C
InChIInChI=1S/C19H23NO2S/c1-15-12-17(8-9-18(15)22-2)13-19(21)20-10-11-23-14-16-6-4-3-5-7-16/h3-9,12H,10-11,13-14H2,1-2H3,(H,20,21)
InChIKeyUJNKHYONEPFPDS-UHFFFAOYSA-N
XLogP3.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-benzylsulfanylethyl)-2-methoxy-5-methylbenzamide
CID 9470342
N-(2-benzylsulfanylethyl)-2-methoxybenzamide
CID 5225725
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 30263518
N-(2-benzylsulfanylethyl)-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 32965914
N-[3-(dimethylamino)propyl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 95970771
N-[3-(2-chlorophenyl)propyl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 100717544
N-(2-benzylsulfanylethyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 2292014
2-[2-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]ethylsulfanyl]acetic acid
CID 119242624
2-(3,4-dimethoxyphenyl)sulfanyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide
CID 99955364
2-(3,4-dimethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8911158
N-(2-benzylsulfanylethyl)-4-(difluoromethoxy)-3-methoxybenzamide
CID 8749675
[2-(2-benzylsulfanylethylamino)-2-oxoethyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 7627760

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylsulfanylethyl)-2-(4-methoxy-3-methylphenyl)acetamide?
The IUPAC name of N-(2-benzylsulfanylethyl)-2-(4-methoxy-3-methylphenyl)acetamide (CID 100765199) is N-(2-benzylsulfanylethyl)-2-(4-methoxy-3-methylphenyl)acetamide.
What is the SMILES notation for N-(2-benzylsulfanylethyl)-2-(4-methoxy-3-methylphenyl)acetamide?
The canonical SMILES for N-(2-benzylsulfanylethyl)-2-(4-methoxy-3-methylphenyl)acetamide is COc1ccc(CC(=O)NCCSCc2ccccc2)cc1C.
What is the InChIKey of N-(2-benzylsulfanylethyl)-2-(4-methoxy-3-methylphenyl)acetamide?
The InChIKey is UJNKHYONEPFPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-15-12-17(8-9-18(15)22-2)13-19(21)20-10-11-23-14-16-6-4-3-5-7-16/h3-9,12H,10-11,13-14H2,1-2H3,(H,20,21).
What are the key properties of N-(2-benzylsulfanylethyl)-2-(4-methoxy-3-methylphenyl)acetamide?
N-(2-benzylsulfanylethyl)-2-(4-methoxy-3-methylphenyl)acetamide has a molecular weight of 329.47 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylsulfanylethyl)-2-(4-methoxy-3-methylphenyl)acetamide is sourced from PubChem (CID 100765199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).