N-[2-(2-methoxyphenyl)ethyl]-N-methyl-2-[(4-methylphenyl)methylsulfanyl]acetamide

C20H25NO2S — CID 86892040

IUPACN-[2-(2-methoxyphenyl)ethyl]-N-methyl-2-[(4-methylphenyl)methylsulfanyl]acetamide
SMILESCOc1ccccc1CCN(C)C(=O)CSCc1ccc(C)cc1
InChIInChI=1S/C20H25NO2S/c1-16-8-10-17(11-9-16)14-24-15-20(22)21(2)13-12-18-6-4-5-7-19(18)23-3/h4-11H,12-15H2,1-3H3
InChIKeyRBYDPIVXSGSVHD-UHFFFAOYSA-N
MW343.49 g/mol
LogP3.94
Rot. Bonds8

About N-[2-(2-methoxyphenyl)ethyl]-N-methyl-2-[(4-methylphenyl)methylsulfanyl]acetamide

N-[2-(2-methoxyphenyl)ethyl]-N-methyl-2-[(4-methylphenyl)methylsulfanyl]acetamide (PubChem CID 86892040) has the molecular formula C20H25NO2S and a molecular weight of 343.49 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-N-methyl-2-[(4-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-N-methyl-2-[(4-methylphenyl)methylsulfanyl]acetamide
PubChem CID86892040
Molecular FormulaC20H25NO2S
Molecular Weight343.49 g/mol
Exact Mass343.16
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-N-methyl-2-[(4-methylphenyl)methylsulfanyl]acetamide
SMILESCOc1ccccc1CCN(C)C(=O)CSCc1ccc(C)cc1
InChIInChI=1S/C20H25NO2S/c1-16-8-10-17(11-9-16)14-24-15-20(22)21(2)13-12-18-6-4-5-7-19(18)23-3/h4-11H,12-15H2,1-3H3
InChIKeyRBYDPIVXSGSVHD-UHFFFAOYSA-N
XLogP3.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 110287852
N-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 775085
N-[(4-methoxyphenyl)methyl]-N-methyl-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 50874829
2-(2-methoxyphenyl)ethyl-methylcarbamothioic S-acid
CID 115170477
N-[(2-methoxyphenyl)methyl]-N-methyl-2-(4-methylphenyl)sulfanylacetamide
CID 43909023
N-[2-(2-methoxyphenyl)ethyl]-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide
CID 110626933
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[(4-methylphenyl)methylsulfanyl]ethanone
CID 1208587
1-cyano-N-[2-(2-methoxyphenyl)ethyl]-N-methylformamide
CID 115172715
methyl 4-[3-(2-methoxyphenyl)propanoyl-methylamino]butanoate
CID 60714452
2-(1-hydroxycyclohexyl)-N-[2-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 111538086
2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-N-methyl-N-[2-(2-methylphenoxy)ethyl]acetamide
CID 55607439
3-(2-methoxyphenyl)-N-methyl-N-(2-piperidin-1-ylethyl)propanamide
CID 110753414

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-N-methyl-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-N-methyl-2-[(4-methylphenyl)methylsulfanyl]acetamide (CID 86892040) is N-[2-(2-methoxyphenyl)ethyl]-N-methyl-2-[(4-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-N-methyl-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-N-methyl-2-[(4-methylphenyl)methylsulfanyl]acetamide is COc1ccccc1CCN(C)C(=O)CSCc1ccc(C)cc1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-N-methyl-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is RBYDPIVXSGSVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2S/c1-16-8-10-17(11-9-16)14-24-15-20(22)21(2)13-12-18-6-4-5-7-19(18)23-3/h4-11H,12-15H2,1-3H3.
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-N-methyl-2-[(4-methylphenyl)methylsulfanyl]acetamide?
N-[2-(2-methoxyphenyl)ethyl]-N-methyl-2-[(4-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 343.49 g/mol, XLogP of 3.94, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-N-methyl-2-[(4-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 86892040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).