2-(difluoromethylsulfanyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide

C18H19F2NO4S — CID 18196193

IUPAC2-(difluoromethylsulfanyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)c1ccccc1SC(F)F
InChIInChI=1S/C18H19F2NO4S/c1-23-13-9-15(25-3)14(24-2)8-11(13)10-21-17(22)12-6-4-5-7-16(12)26-18(19)20/h4-9,18H,10H2,1-3H3,(H,21,22)
InChIKeyAPMMEGHJMWESJV-UHFFFAOYSA-N
MW383.42 g/mol
LogP3.96
Rot. Bonds8

About 2-(difluoromethylsulfanyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide

2-(difluoromethylsulfanyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide (PubChem CID 18196193) has the molecular formula C18H19F2NO4S and a molecular weight of 383.42 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
PubChem CID18196193
Molecular FormulaC18H19F2NO4S
Molecular Weight383.42 g/mol
Exact Mass383.10
IUPAC Name2-(difluoromethylsulfanyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)c1ccccc1SC(F)F
InChIInChI=1S/C18H19F2NO4S/c1-23-13-9-15(25-3)14(24-2)8-11(13)10-21-17(22)12-6-4-5-7-16(12)26-18(19)20/h4-9,18H,10H2,1-3H3,(H,21,22)
InChIKeyAPMMEGHJMWESJV-UHFFFAOYSA-N
XLogP3.96
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
CID 18116275
methyl 5-[[[2-(difluoromethylsulfanyl)benzoyl]amino]methyl]-2-methoxybenzoate
CID 18189777
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
CID 46552087
2-[(S)-ethylsulfinyl]-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
CID 11945350
2-(difluoromethylsulfanyl)-N-(2-methoxyphenyl)benzamide
CID 17424318
2,2-difluoro-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 103602966
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-fluorobenzamide
CID 54785477
2,4,5-trimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912738
N-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfanylbenzamide
CID 92532211
ethyl 2-[[2-(difluoromethylsulfanyl)benzoyl]amino]acetate
CID 60816131
N-[2-(2-methoxyphenyl)ethyl]-2-propan-2-ylsulfanylbenzamide
CID 51151939
N-[(2-methoxyphenyl)methyl]-2-(2-oxopropylsulfanyl)benzamide
CID 9404793

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide?
The IUPAC name of 2-(difluoromethylsulfanyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide (CID 18196193) is 2-(difluoromethylsulfanyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide?
The canonical SMILES for 2-(difluoromethylsulfanyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide is COc1cc(OC)c(OC)cc1CNC(=O)c1ccccc1SC(F)F.
What is the InChIKey of 2-(difluoromethylsulfanyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide?
The InChIKey is APMMEGHJMWESJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO4S/c1-23-13-9-15(25-3)14(24-2)8-11(13)10-21-17(22)12-6-4-5-7-16(12)26-18(19)20/h4-9,18H,10H2,1-3H3,(H,21,22).
What are the key properties of 2-(difluoromethylsulfanyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide?
2-(difluoromethylsulfanyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide has a molecular weight of 383.42 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 18196193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).