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

C19H23NO3S — CID 3332473

IUPACN-[(2,4-dimethoxyphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
SMILESCOc1ccc(CNC(=O)CSCc2ccc(C)cc2)c(OC)c1
InChIInChI=1S/C19H23NO3S/c1-14-4-6-15(7-5-14)12-24-13-19(21)20-11-16-8-9-17(22-2)10-18(16)23-3/h4-10H,11-13H2,1-3H3,(H,20,21)
InChIKeyZGXSEKWHGQQFFZ-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.56
Rot. Bonds8

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

N-[(2,4-dimethoxyphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide (PubChem CID 3332473) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
PubChem CID3332473
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
SMILESCOc1ccc(CNC(=O)CSCc2ccc(C)cc2)c(OC)c1
InChIInChI=1S/C19H23NO3S/c1-14-4-6-15(7-5-14)12-24-13-19(21)20-11-16-8-9-17(22-2)10-18(16)23-3/h4-10H,11-13H2,1-3H3,(H,20,21)
InChIKeyZGXSEKWHGQQFFZ-UHFFFAOYSA-N
XLogP3.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide (CID 3332473) is N-[(2,4-dimethoxyphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide is COc1ccc(CNC(=O)CSCc2ccc(C)cc2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is ZGXSEKWHGQQFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-14-4-6-15(7-5-14)12-24-13-19(21)20-11-16-8-9-17(22-2)10-18(16)23-3/h4-10H,11-13H2,1-3H3,(H,20,21).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide?
N-[(2,4-dimethoxyphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 345.46 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 3332473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).