N-[(2,3-dimethoxyphenyl)methyl]-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-methylacetamide

C20H24FNO4S — CID 8966714

IUPACN-[(2,3-dimethoxyphenyl)methyl]-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-methylacetamide
SMILESCOc1ccc(F)cc1CSCC(=O)N(C)Cc1cccc(OC)c1OC
InChIInChI=1S/C20H24FNO4S/c1-22(11-14-6-5-7-18(25-3)20(14)26-4)19(23)13-27-12-15-10-16(21)8-9-17(15)24-2/h5-10H,11-13H2,1-4H3
InChIKeyCBHPLWSVHNGGHL-UHFFFAOYSA-N
MW393.48 g/mol
LogP3.74
Rot. Bonds9

About N-[(2,3-dimethoxyphenyl)methyl]-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-methylacetamide

N-[(2,3-dimethoxyphenyl)methyl]-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-methylacetamide (PubChem CID 8966714) has the molecular formula C20H24FNO4S and a molecular weight of 393.48 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-methylacetamide
PubChem CID8966714
Molecular FormulaC20H24FNO4S
Molecular Weight393.48 g/mol
Exact Mass393.14
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-methylacetamide
SMILESCOc1ccc(F)cc1CSCC(=O)N(C)Cc1cccc(OC)c1OC
InChIInChI=1S/C20H24FNO4S/c1-22(11-14-6-5-7-18(25-3)20(14)26-4)19(23)13-27-12-15-10-16(21)8-9-17(15)24-2/h5-10H,11-13H2,1-4H3
InChIKeyCBHPLWSVHNGGHL-UHFFFAOYSA-N
XLogP3.74
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-fluoro-2-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82128249
3-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpropanamide
CID 94687738
2-bromo-N-[(2,3-dimethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide
CID 18112106
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcarbamoyl chloride
CID 115194745
4-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide
CID 54868981
5-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylpentanamide
CID 43470726
3-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 78829784
2-[(3-fluorophenyl)methyl-methylamino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 86908474
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-(propylamino)acetamide
CID 60648390
6-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylhexanamide
CID 60936664
N-[(2,3-dimethoxyphenyl)methyl]-N,3,5-trimethylbenzamide
CID 7936275
2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-(4-fluorophenyl)acetamide
CID 8965975

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-methylacetamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-methylacetamide (CID 8966714) is N-[(2,3-dimethoxyphenyl)methyl]-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-methylacetamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-methylacetamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-methylacetamide is COc1ccc(F)cc1CSCC(=O)N(C)Cc1cccc(OC)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-methylacetamide?
The InChIKey is CBHPLWSVHNGGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO4S/c1-22(11-14-6-5-7-18(25-3)20(14)26-4)19(23)13-27-12-15-10-16(21)8-9-17(15)24-2/h5-10H,11-13H2,1-4H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-methylacetamide?
N-[(2,3-dimethoxyphenyl)methyl]-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-methylacetamide has a molecular weight of 393.48 g/mol, XLogP of 3.74, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-methylacetamide is sourced from PubChem (CID 8966714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).