N-(2,4-difluorophenyl)-2-[(3-fluoro-4-methoxyphenyl)methylsulfonyl]acetamide

C16H14F3NO4S — CID 55703454

IUPACN-(2,4-difluorophenyl)-2-[(3-fluoro-4-methoxyphenyl)methylsulfonyl]acetamide
SMILESCOc1ccc(CS(=O)(=O)CC(=O)Nc2ccc(F)cc2F)cc1F
InChIInChI=1S/C16H14F3NO4S/c1-24-15-5-2-10(6-13(15)19)8-25(22,23)9-16(21)20-14-4-3-11(17)7-12(14)18/h2-7H,8-9H2,1H3,(H,20,21)
InChIKeyQYONMQAWAWGUOY-UHFFFAOYSA-N
MW373.35 g/mol
LogP2.67
Rot. Bonds6

About N-(2,4-difluorophenyl)-2-[(3-fluoro-4-methoxyphenyl)methylsulfonyl]acetamide

N-(2,4-difluorophenyl)-2-[(3-fluoro-4-methoxyphenyl)methylsulfonyl]acetamide (PubChem CID 55703454) has the molecular formula C16H14F3NO4S and a molecular weight of 373.35 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[(3-fluoro-4-methoxyphenyl)methylsulfonyl]acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[(3-fluoro-4-methoxyphenyl)methylsulfonyl]acetamide
PubChem CID55703454
Molecular FormulaC16H14F3NO4S
Molecular Weight373.35 g/mol
Exact Mass373.06
IUPAC NameN-(2,4-difluorophenyl)-2-[(3-fluoro-4-methoxyphenyl)methylsulfonyl]acetamide
SMILESCOc1ccc(CS(=O)(=O)CC(=O)Nc2ccc(F)cc2F)cc1F
InChIInChI=1S/C16H14F3NO4S/c1-24-15-5-2-10(6-13(15)19)8-25(22,23)9-16(21)20-14-4-3-11(17)7-12(14)18/h2-7H,8-9H2,1H3,(H,20,21)
InChIKeyQYONMQAWAWGUOY-UHFFFAOYSA-N
XLogP2.67
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-difluorophenyl)-4-(3,4-dimethoxyphenyl)butanamide
CID 110426742
N-[2-(2,4-difluoroanilino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113000840
2-[(3-bromophenyl)methylsulfonyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 60573938
N-(2,4-difluorophenyl)-N'-(2-methoxy-5-methylphenyl)propanediamide
CID 108955812
N'-(2,4-difluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanediamide
CID 108949762
N-(2,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propanamide
CID 109027869
N-(2-amino-4-fluorophenyl)-2-(2-methoxyethylsulfonyl)acetamide
CID 43446239
N-(2,4-difluorophenyl)-3-(2-methoxyanilino)propanamide
CID 109039452
4-[[2-(2-methoxyanilino)-2-oxoethyl]sulfonylmethyl]benzoate
CID 7731697
1-(2,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 883790
N-(2,4-difluorophenyl)-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide
CID 1290557
N-(2,4-difluorophenyl)-2-(4-ethylsulfonylphenyl)acetamide
CID 41145925

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[(3-fluoro-4-methoxyphenyl)methylsulfonyl]acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[(3-fluoro-4-methoxyphenyl)methylsulfonyl]acetamide (CID 55703454) is N-(2,4-difluorophenyl)-2-[(3-fluoro-4-methoxyphenyl)methylsulfonyl]acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[(3-fluoro-4-methoxyphenyl)methylsulfonyl]acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[(3-fluoro-4-methoxyphenyl)methylsulfonyl]acetamide is COc1ccc(CS(=O)(=O)CC(=O)Nc2ccc(F)cc2F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[(3-fluoro-4-methoxyphenyl)methylsulfonyl]acetamide?
The InChIKey is QYONMQAWAWGUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO4S/c1-24-15-5-2-10(6-13(15)19)8-25(22,23)9-16(21)20-14-4-3-11(17)7-12(14)18/h2-7H,8-9H2,1H3,(H,20,21).
What are the key properties of N-(2,4-difluorophenyl)-2-[(3-fluoro-4-methoxyphenyl)methylsulfonyl]acetamide?
N-(2,4-difluorophenyl)-2-[(3-fluoro-4-methoxyphenyl)methylsulfonyl]acetamide has a molecular weight of 373.35 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[(3-fluoro-4-methoxyphenyl)methylsulfonyl]acetamide is sourced from PubChem (CID 55703454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).