N-(3-acetamidophenyl)-2-(2,4-difluoro-N-methylsulfonylanilino)acetamide

C17H17F2N3O4S — CID 113156816

IUPACN-(3-acetamidophenyl)-2-(2,4-difluoro-N-methylsulfonylanilino)acetamide
SMILESCC(=O)Nc1cccc(NC(=O)CN(c2ccc(F)cc2F)S(C)(=O)=O)c1
InChIInChI=1S/C17H17F2N3O4S/c1-11(23)20-13-4-3-5-14(9-13)21-17(24)10-22(27(2,25)26)16-7-6-12(18)8-15(16)19/h3-9H,10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyGRLUHBXEAJDJOF-UHFFFAOYSA-N
MW397.40 g/mol
LogP2.33
Rot. Bonds6

About N-(3-acetamidophenyl)-2-(2,4-difluoro-N-methylsulfonylanilino)acetamide

N-(3-acetamidophenyl)-2-(2,4-difluoro-N-methylsulfonylanilino)acetamide (PubChem CID 113156816) has the molecular formula C17H17F2N3O4S and a molecular weight of 397.40 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-(2,4-difluoro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-(2,4-difluoro-N-methylsulfonylanilino)acetamide
PubChem CID113156816
Molecular FormulaC17H17F2N3O4S
Molecular Weight397.40 g/mol
Exact Mass397.09
IUPAC NameN-(3-acetamidophenyl)-2-(2,4-difluoro-N-methylsulfonylanilino)acetamide
SMILESCC(=O)Nc1cccc(NC(=O)CN(c2ccc(F)cc2F)S(C)(=O)=O)c1
InChIInChI=1S/C17H17F2N3O4S/c1-11(23)20-13-4-3-5-14(9-13)21-17(24)10-22(27(2,25)26)16-7-6-12(18)8-15(16)19/h3-9H,10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyGRLUHBXEAJDJOF-UHFFFAOYSA-N
XLogP2.33
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-difluoro-N-methylsulfonylanilino)-N-[4-(dimethylamino)phenyl]acetamide
CID 113156818
N-(3-acetamidophenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide
CID 113154134
2-(2,3-dichloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide
CID 1322792
N-(3-bromophenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 1349692
2-(3-acetamido-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)acetamide
CID 113155767
N-(3-chlorophenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide
CID 113157541
2-(N-acetyl-2,4-difluoroanilino)-N-(3-fluorophenyl)acetamide
CID 113179072
methyl 2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113155917
2-(2,4-difluoro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 100570627
2-(2,4-difluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 113156780
2-(N-acetyl-2,4-difluoroanilino)-N-(3-methylphenyl)acetamide
CID 113179006
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 1338023

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-(2,4-difluoro-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-(2,4-difluoro-N-methylsulfonylanilino)acetamide (CID 113156816) is N-(3-acetamidophenyl)-2-(2,4-difluoro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-(2,4-difluoro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-(2,4-difluoro-N-methylsulfonylanilino)acetamide is CC(=O)Nc1cccc(NC(=O)CN(c2ccc(F)cc2F)S(C)(=O)=O)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-(2,4-difluoro-N-methylsulfonylanilino)acetamide?
The InChIKey is GRLUHBXEAJDJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O4S/c1-11(23)20-13-4-3-5-14(9-13)21-17(24)10-22(27(2,25)26)16-7-6-12(18)8-15(16)19/h3-9H,10H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-(3-acetamidophenyl)-2-(2,4-difluoro-N-methylsulfonylanilino)acetamide?
N-(3-acetamidophenyl)-2-(2,4-difluoro-N-methylsulfonylanilino)acetamide has a molecular weight of 397.40 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-(2,4-difluoro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 113156816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).