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

C18H21NO2S — CID 775085

IUPACN-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
SMILESCOc1ccccc1CNC(=O)CSCc1ccc(C)cc1
InChIInChI=1S/C18H21NO2S/c1-14-7-9-15(10-8-14)12-22-13-18(20)19-11-16-5-3-4-6-17(16)21-2/h3-10H,11-13H2,1-2H3,(H,19,20)
InChIKeyKEKOAFKWIYAQJI-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.55
Rot. Bonds7

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

N-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide (PubChem CID 775085) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
PubChem CID775085
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
SMILESCOc1ccccc1CNC(=O)CSCc1ccc(C)cc1
InChIInChI=1S/C18H21NO2S/c1-14-7-9-15(10-8-14)12-22-13-18(20)19-11-16-5-3-4-6-17(16)21-2/h3-10H,11-13H2,1-2H3,(H,19,20)
InChIKeyKEKOAFKWIYAQJI-UHFFFAOYSA-N
XLogP3.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methylphenyl)methylsulfanyl]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 94043023
N'-[(2-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]propanediamide
CID 108945706
2-[(4-methoxyphenyl)methylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide
CID 53279657
2-benzylsulfanyl-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 94049662
2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide
CID 3324372
2-[(E)-but-2-enyl]sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 75407169
2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide
CID 110007036
2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 8928793
N-[2-(2-methoxyphenyl)ethyl]-N-methyl-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 86892040
2-[(4-methylphenyl)methylsulfanyl]-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
CID 33452266
N-[(2,5-dimethylfuran-3-yl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 86950453
2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide
CID 110006919

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide (CID 775085) is N-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide is COc1ccccc1CNC(=O)CSCc1ccc(C)cc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is KEKOAFKWIYAQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-14-7-9-15(10-8-14)12-22-13-18(20)19-11-16-5-3-4-6-17(16)21-2/h3-10H,11-13H2,1-2H3,(H,19,20).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide?
N-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 315.44 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 775085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).