N-(3-fluoro-4-methylphenyl)-2-(3-methylsulfonylanilino)acetamide

C16H17FN2O3S — CID 37229754

IUPACN-(3-fluoro-4-methylphenyl)-2-(3-methylsulfonylanilino)acetamide
SMILESCc1ccc(NC(=O)CNc2cccc(S(C)(=O)=O)c2)cc1F
InChIInChI=1S/C16H17FN2O3S/c1-11-6-7-13(9-15(11)17)19-16(20)10-18-12-4-3-5-14(8-12)23(2,21)22/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyWVBCFLJXFAOHHH-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.59
Rot. Bonds5

About N-(3-fluoro-4-methylphenyl)-2-(3-methylsulfonylanilino)acetamide

N-(3-fluoro-4-methylphenyl)-2-(3-methylsulfonylanilino)acetamide (PubChem CID 37229754) has the molecular formula C16H17FN2O3S and a molecular weight of 336.39 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-(3-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-(3-methylsulfonylanilino)acetamide
PubChem CID37229754
Molecular FormulaC16H17FN2O3S
Molecular Weight336.39 g/mol
Exact Mass336.09
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-(3-methylsulfonylanilino)acetamide
SMILESCc1ccc(NC(=O)CNc2cccc(S(C)(=O)=O)c2)cc1F
InChIInChI=1S/C16H17FN2O3S/c1-11-6-7-13(9-15(11)17)19-16(20)10-18-12-4-3-5-14(8-12)23(2,21)22/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyWVBCFLJXFAOHHH-UHFFFAOYSA-N
XLogP2.59
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-fluoro-2-methylphenyl)-2-(3-methylsulfonylanilino)acetamide
CID 18125562
2-(3-acetylanilino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 9099428
N-(3,4-difluorophenyl)-2-[3-(dimethylsulfamoyl)anilino]acetamide
CID 9084347
N-(3-cyanophenyl)-2-(3-fluoro-4-methylanilino)acetamide
CID 9100025
2-(3-cyanoanilino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 9101406
N-(3-fluoro-4-methylphenyl)-2-(3-nitroanilino)acetamide
CID 8933282
2-(ethylamino)-N-(3-methylsulfonylphenyl)acetamide
CID 60673121
2-fluoro-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]benzamide
CID 9071274
N-[4-(diethylsulfamoyl)phenyl]-2-(3-fluoro-4-methylanilino)acetamide
CID 9100034
2,2-dimethyl-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]propanamide
CID 134013213
2-(3-methylsulfonylanilino)-N-naphthalen-1-ylacetamide
CID 37229648
N-(3,4-dimethylphenyl)-2-(3-fluoroanilino)acetamide
CID 9098883

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-(3-methylsulfonylanilino)acetamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-(3-methylsulfonylanilino)acetamide (CID 37229754) is N-(3-fluoro-4-methylphenyl)-2-(3-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-(3-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-(3-methylsulfonylanilino)acetamide is Cc1ccc(NC(=O)CNc2cccc(S(C)(=O)=O)c2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-(3-methylsulfonylanilino)acetamide?
The InChIKey is WVBCFLJXFAOHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3S/c1-11-6-7-13(9-15(11)17)19-16(20)10-18-12-4-3-5-14(8-12)23(2,21)22/h3-9,18H,10H2,1-2H3,(H,19,20).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-(3-methylsulfonylanilino)acetamide?
N-(3-fluoro-4-methylphenyl)-2-(3-methylsulfonylanilino)acetamide has a molecular weight of 336.39 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-(3-methylsulfonylanilino)acetamide is sourced from PubChem (CID 37229754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).