2-[ethyl-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methylacetamide

C13H17F3N2O3S — CID 47090018

IUPAC2-[ethyl-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O3S/c1-4-18(8-12(19)17-3)22(20,21)10-6-5-9(2)11(7-10)13(14,15)16/h5-7H,4,8H2,1-3H3,(H,17,19)
InChIKeyAIHHAZXUTKLNHJ-UHFFFAOYSA-N
MW338.35 g/mol
LogP1.77
Rot. Bonds5

About 2-[ethyl-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methylacetamide

2-[ethyl-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methylacetamide (PubChem CID 47090018) has the molecular formula C13H17F3N2O3S and a molecular weight of 338.35 g/mol. Its IUPAC name is 2-[ethyl-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[ethyl-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methylacetamide
PubChem CID47090018
Molecular FormulaC13H17F3N2O3S
Molecular Weight338.35 g/mol
Exact Mass338.09
IUPAC Name2-[ethyl-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O3S/c1-4-18(8-12(19)17-3)22(20,21)10-6-5-9(2)11(7-10)13(14,15)16/h5-7H,4,8H2,1-3H3,(H,17,19)
InChIKeyAIHHAZXUTKLNHJ-UHFFFAOYSA-N
XLogP1.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 37496925
2-[(2-chloro-4-pyridinyl)sulfonyl-ethylamino]-N-methylacetamide
CID 61053217
2-[ethyl-[3-(methylsulfamoyl)phenyl]sulfonylamino]-N-methylacetamide
CID 49240452
2-[ethyl(naphthalen-2-ylsulfonyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2980569
4-amino-N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide
CID 170459200
2-[(4-amino-2,6-dimethylphenyl)sulfonyl-ethylamino]-N-methylacetamide
CID 79589101
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)acetamide
CID 28547972
2-[(3-amino-4-methylphenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide
CID 61127922
N-(5-chloro-2-methylphenyl)-2-[ethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 2119470
2-[(5,6-dichloro-3-pyridinyl)sulfonyl-ethylamino]-N-methylacetamide
CID 64608953
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 45375647
2-chloro-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
CID 3606084

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methylacetamide?
The IUPAC name of 2-[ethyl-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methylacetamide (CID 47090018) is 2-[ethyl-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methylacetamide.
What is the SMILES notation for 2-[ethyl-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methylacetamide?
The canonical SMILES for 2-[ethyl-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methylacetamide is CCN(CC(=O)NC)S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1.
What is the InChIKey of 2-[ethyl-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methylacetamide?
The InChIKey is AIHHAZXUTKLNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O3S/c1-4-18(8-12(19)17-3)22(20,21)10-6-5-9(2)11(7-10)13(14,15)16/h5-7H,4,8H2,1-3H3,(H,17,19).
What are the key properties of 2-[ethyl-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methylacetamide?
2-[ethyl-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methylacetamide has a molecular weight of 338.35 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methylacetamide is sourced from PubChem (CID 47090018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).