N-(2,4-difluorophenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide

C16H16F2N2O4S — CID 1306853

IUPACN-(2,4-difluorophenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1cccc(N(CC(=O)Nc2ccc(F)cc2F)S(C)(=O)=O)c1
InChIInChI=1S/C16H16F2N2O4S/c1-24-13-5-3-4-12(9-13)20(25(2,22)23)10-16(21)19-15-7-6-11(17)8-14(15)18/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyGFMCDDMTKFKXIO-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.38
Rot. Bonds6

About N-(2,4-difluorophenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide

N-(2,4-difluorophenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide (PubChem CID 1306853) has the molecular formula C16H16F2N2O4S and a molecular weight of 370.38 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide
PubChem CID1306853
Molecular FormulaC16H16F2N2O4S
Molecular Weight370.38 g/mol
Exact Mass370.08
IUPAC NameN-(2,4-difluorophenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1cccc(N(CC(=O)Nc2ccc(F)cc2F)S(C)(=O)=O)c1
InChIInChI=1S/C16H16F2N2O4S/c1-24-13-5-3-4-12(9-13)20(25(2,22)23)10-16(21)19-15-7-6-11(17)8-14(15)18/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyGFMCDDMTKFKXIO-UHFFFAOYSA-N
XLogP2.38
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-difluorophenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide
CID 21372888
N-(2,4-difluorophenyl)-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide
CID 1290557
N-(4-iodo-2-methylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide
CID 1302977
methyl 2-[[2-(3-methoxy-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 1097999
2-(3-ethoxy-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide
CID 30264702
3-(N-acetyl-3-methoxyanilino)-N-(2,4-difluorophenyl)propanamide
CID 113129022
N-(3,4-dimethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide
CID 1098104
N-(2,5-dimethoxyphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 3139067
N-(2,5-difluorophenyl)-2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 28548146
N-[2-(2-fluorophenyl)ethyl]-2-(3-methoxy-N-methylsulfonylanilino)acetamide
CID 113155162
N-(3-cyanophenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide
CID 113155193
N-(3-methoxyphenyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide
CID 126032440

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide (CID 1306853) is N-(2,4-difluorophenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide is COc1cccc(N(CC(=O)Nc2ccc(F)cc2F)S(C)(=O)=O)c1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide?
The InChIKey is GFMCDDMTKFKXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O4S/c1-24-13-5-3-4-12(9-13)20(25(2,22)23)10-16(21)19-15-7-6-11(17)8-14(15)18/h3-9H,10H2,1-2H3,(H,19,21).
What are the key properties of N-(2,4-difluorophenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide?
N-(2,4-difluorophenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide has a molecular weight of 370.38 g/mol, XLogP of 2.38, 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-methoxy-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 1306853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).