N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

C15H16F3N3O4S2 — CID 55543519

IUPACN-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(CNC(=O)Cn2cccc(C(F)(F)F)c2=O)s1
InChIInChI=1S/C15H16F3N3O4S2/c1-20(2)27(24,25)13-6-5-10(26-13)8-19-12(22)9-21-7-3-4-11(14(21)23)15(16,17)18/h3-7H,8-9H2,1-2H3,(H,19,22)
InChIKeyBIJPMMYVWDONSO-UHFFFAOYSA-N
MW423.44 g/mol
LogP1.50
Rot. Bonds6

About N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 55543519) has the molecular formula C15H16F3N3O4S2 and a molecular weight of 423.44 g/mol. Its IUPAC name is N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID55543519
Molecular FormulaC15H16F3N3O4S2
Molecular Weight423.44 g/mol
Exact Mass423.05
IUPAC NameN-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(CNC(=O)Cn2cccc(C(F)(F)F)c2=O)s1
InChIInChI=1S/C15H16F3N3O4S2/c1-20(2)27(24,25)13-6-5-10(26-13)8-19-12(22)9-21-7-3-4-11(14(21)23)15(16,17)18/h3-7H,8-9H2,1-2H3,(H,19,22)
InChIKeyBIJPMMYVWDONSO-UHFFFAOYSA-N
XLogP1.50
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (CID 55543519) is N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is CN(C)S(=O)(=O)c1ccc(CNC(=O)Cn2cccc(C(F)(F)F)c2=O)s1.
What is the InChIKey of N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is BIJPMMYVWDONSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O4S2/c1-20(2)27(24,25)13-6-5-10(26-13)8-19-12(22)9-21-7-3-4-11(14(21)23)15(16,17)18/h3-7H,8-9H2,1-2H3,(H,19,22).
What are the key properties of N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 423.44 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 55543519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).