N-(2-methoxyethyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetamide

C13H19NO3S — CID 53279569

IUPACN-(2-methoxyethyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetamide
SMILESCOCCNC(=O)CSCc1ccc(OC)cc1
InChIInChI=1S/C13H19NO3S/c1-16-8-7-14-13(15)10-18-9-11-3-5-12(17-2)6-4-11/h3-6H,7-10H2,1-2H3,(H,14,15)
InChIKeyMXXAHOFWYCXZGB-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.69
Rot. Bonds8

About N-(2-methoxyethyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetamide

N-(2-methoxyethyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetamide (PubChem CID 53279569) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetamide
PubChem CID53279569
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC NameN-(2-methoxyethyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetamide
SMILESCOCCNC(=O)CSCc1ccc(OC)cc1
InChIInChI=1S/C13H19NO3S/c1-16-8-7-14-13(15)10-18-9-11-3-5-12(17-2)6-4-11/h3-6H,7-10H2,1-2H3,(H,14,15)
InChIKeyMXXAHOFWYCXZGB-UHFFFAOYSA-N
XLogP1.69
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.69
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

2-[(4-bromophenyl)methylsulfanyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2971850
2-[(4-methoxyphenyl)methylsulfanyl]-N-methylacetamide
CID 53279533
2-[(4-methoxyphenyl)methylsulfanyl]-N-propan-2-ylacetamide
CID 53279539
2-[(4-cyanophenyl)methylsulfanyl]-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 55919381
N-[[4-(dimethylamino)phenyl]methyl]-2-[(4-methoxyphenyl)methylsulfanyl]acetamide
CID 53278903
2-[(4-methoxyphenyl)methylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide
CID 53279657
2-[(4-methoxyphenyl)methylsulfanyl]acetyl chloride
CID 13273375
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate
CID 7773410
2-[(4-methoxyphenyl)methylsulfanyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 46766994
2-benzylsulfanyl-N-(2-phenoxyethyl)acetamide
CID 30349604
N-cyclopentyl-2-[(4-methoxyphenyl)methylsulfanyl]acetamide
CID 53279549
N-(2-ethylhexyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetamide
CID 133244562

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetamide (CID 53279569) is N-(2-methoxyethyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetamide is COCCNC(=O)CSCc1ccc(OC)cc1.
What is the InChIKey of N-(2-methoxyethyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetamide?
The InChIKey is MXXAHOFWYCXZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-16-8-7-14-13(15)10-18-9-11-3-5-12(17-2)6-4-11/h3-6H,7-10H2,1-2H3,(H,14,15).
What are the key properties of N-(2-methoxyethyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetamide?
N-(2-methoxyethyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetamide has a molecular weight of 269.37 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 53279569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).