N-(2-ethylphenyl)-2-[2-(2-methylphenoxy)ethylsulfanyl]acetamide

C19H23NO2S — CID 31543597

IUPACN-(2-ethylphenyl)-2-[2-(2-methylphenoxy)ethylsulfanyl]acetamide
SMILESCCc1ccccc1NC(=O)CSCCOc1ccccc1C
InChIInChI=1S/C19H23NO2S/c1-3-16-9-5-6-10-17(16)20-19(21)14-23-13-12-22-18-11-7-4-8-15(18)2/h4-11H,3,12-14H2,1-2H3,(H,20,21)
InChIKeyLYZLVLAWEIMCCZ-UHFFFAOYSA-N
MW329.47 g/mol
LogP4.31
Rot. Bonds8

About N-(2-ethylphenyl)-2-[2-(2-methylphenoxy)ethylsulfanyl]acetamide

N-(2-ethylphenyl)-2-[2-(2-methylphenoxy)ethylsulfanyl]acetamide (PubChem CID 31543597) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[2-(2-methylphenoxy)ethylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[2-(2-methylphenoxy)ethylsulfanyl]acetamide
PubChem CID31543597
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC NameN-(2-ethylphenyl)-2-[2-(2-methylphenoxy)ethylsulfanyl]acetamide
SMILESCCc1ccccc1NC(=O)CSCCOc1ccccc1C
InChIInChI=1S/C19H23NO2S/c1-3-16-9-5-6-10-17(16)20-19(21)14-23-13-12-22-18-11-7-4-8-15(18)2/h4-11H,3,12-14H2,1-2H3,(H,20,21)
InChIKeyLYZLVLAWEIMCCZ-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
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-[(4-chlorophenyl)methyl]-2-[2-(2-methylphenoxy)ethylsulfanyl]acetamide
CID 31088989
4-[2-(2-ethylanilino)-2-oxoethyl]sulfanyl-N-(2,4,6-trimethylphenyl)butanamide
CID 31545161
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 9335548
N-(2-ethylphenyl)-2-(2-propoxyphenoxy)acetamide
CID 7750885
4-(2-methylphenoxy)-N-(2-methylphenyl)butanamide
CID 19173284
2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 31088675
2-(2-bromoethylsulfanyl)-N-(2-ethoxyphenyl)acetamide
CID 92936508
2-[2-[(2-butylsulfanylacetyl)amino]phenyl]acetic acid
CID 62535151
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
N-[2-[2-(2-methylphenoxy)ethoxy]phenyl]acetamide
CID 9017902
N-(2-ethyl-6-methylphenyl)-4-(2-methylphenoxy)butanamide
CID 19173293
N-(4-methylphenyl)-2-[2-oxo-2-(2-propoxyanilino)ethyl]sulfanylacetamide
CID 34345609

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[2-(2-methylphenoxy)ethylsulfanyl]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[2-(2-methylphenoxy)ethylsulfanyl]acetamide (CID 31543597) is N-(2-ethylphenyl)-2-[2-(2-methylphenoxy)ethylsulfanyl]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[2-(2-methylphenoxy)ethylsulfanyl]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[2-(2-methylphenoxy)ethylsulfanyl]acetamide is CCc1ccccc1NC(=O)CSCCOc1ccccc1C.
What is the InChIKey of N-(2-ethylphenyl)-2-[2-(2-methylphenoxy)ethylsulfanyl]acetamide?
The InChIKey is LYZLVLAWEIMCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-3-16-9-5-6-10-17(16)20-19(21)14-23-13-12-22-18-11-7-4-8-15(18)2/h4-11H,3,12-14H2,1-2H3,(H,20,21).
What are the key properties of N-(2-ethylphenyl)-2-[2-(2-methylphenoxy)ethylsulfanyl]acetamide?
N-(2-ethylphenyl)-2-[2-(2-methylphenoxy)ethylsulfanyl]acetamide has a molecular weight of 329.47 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[2-(2-methylphenoxy)ethylsulfanyl]acetamide is sourced from PubChem (CID 31543597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).