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

C16H17FN2O3S — CID 846944

IUPAC2-(4-fluoro-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C16H17FN2O3S/c1-12-4-3-5-14(10-12)18-16(20)11-19(23(2,21)22)15-8-6-13(17)7-9-15/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyDEHTUHBUVQYNFL-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.54
Rot. Bonds5

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

2-(4-fluoro-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide (PubChem CID 846944) has the molecular formula C16H17FN2O3S and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-(4-fluoro-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-fluoro-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
PubChem CID846944
Molecular FormulaC16H17FN2O3S
Molecular Weight336.39 g/mol
Exact Mass336.09
IUPAC Name2-(4-fluoro-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C16H17FN2O3S/c1-12-4-3-5-14(10-12)18-16(20)11-19(23(2,21)22)15-8-6-13(17)7-9-15/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyDEHTUHBUVQYNFL-UHFFFAOYSA-N
XLogP2.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(4-fluoro-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide (CID 846944) is 2-(4-fluoro-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-fluoro-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(4-fluoro-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)c1.
What is the InChIKey of 2-(4-fluoro-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide?
The InChIKey is DEHTUHBUVQYNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3S/c1-12-4-3-5-14(10-12)18-16(20)11-19(23(2,21)22)15-8-6-13(17)7-9-15/h3-10H,11H2,1-2H3,(H,18,20).
What are the key properties of 2-(4-fluoro-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide?
2-(4-fluoro-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide has a molecular weight of 336.39 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 846944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).