2-[ethyl-(1-methylimidazol-4-yl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide

C15H17F3N4O3S — CID 47091101

IUPAC2-[ethyl-(1-methylimidazol-4-yl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C15H17F3N4O3S/c1-3-22(26(24,25)14-9-21(2)10-19-14)8-13(23)20-12-7-5-4-6-11(12)15(16,17)18/h4-7,9-10H,3,8H2,1-2H3,(H,20,23)
InChIKeyLMFGSBDEVFYDDS-UHFFFAOYSA-N
MW390.39 g/mol
LogP2.09
Rot. Bonds6

About 2-[ethyl-(1-methylimidazol-4-yl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[ethyl-(1-methylimidazol-4-yl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 47091101) has the molecular formula C15H17F3N4O3S and a molecular weight of 390.39 g/mol. Its IUPAC name is 2-[ethyl-(1-methylimidazol-4-yl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[ethyl-(1-methylimidazol-4-yl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID47091101
Molecular FormulaC15H17F3N4O3S
Molecular Weight390.39 g/mol
Exact Mass390.10
IUPAC Name2-[ethyl-(1-methylimidazol-4-yl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C15H17F3N4O3S/c1-3-22(26(24,25)14-9-21(2)10-19-14)8-13(23)20-12-7-5-4-6-11(12)15(16,17)18/h4-7,9-10H,3,8H2,1-2H3,(H,20,23)
InChIKeyLMFGSBDEVFYDDS-UHFFFAOYSA-N
XLogP2.09
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl-(2-fluorophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 18080138
2-[ethyl(naphthalen-2-ylsulfonyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2980569
2-[ethyl-(2-nitrophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 30329088
2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 37496925
2-[2-methylpropyl(methylsulfonyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113148570
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-(trifluoromethyl)benzamide
CID 26356947
N-[4-(dimethylsulfamoyl)phenyl]-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide
CID 2462034
2-(N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3296001
2-[[(E)-3-chloroprop-2-enyl]-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 78832350
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2222415
2-[(2-chloroacetyl)-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2095781

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(1-methylimidazol-4-yl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[ethyl-(1-methylimidazol-4-yl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 47091101) is 2-[ethyl-(1-methylimidazol-4-yl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[ethyl-(1-methylimidazol-4-yl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[ethyl-(1-methylimidazol-4-yl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide is CCN(CC(=O)Nc1ccccc1C(F)(F)F)S(=O)(=O)c1cn(C)cn1.
What is the InChIKey of 2-[ethyl-(1-methylimidazol-4-yl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is LMFGSBDEVFYDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O3S/c1-3-22(26(24,25)14-9-21(2)10-19-14)8-13(23)20-12-7-5-4-6-11(12)15(16,17)18/h4-7,9-10H,3,8H2,1-2H3,(H,20,23).
What are the key properties of 2-[ethyl-(1-methylimidazol-4-yl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[ethyl-(1-methylimidazol-4-yl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 390.39 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(1-methylimidazol-4-yl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 47091101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).