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

C12H15F3N2O3S — CID 51102093

IUPACN-ethyl-2-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
SMILESCCNC(=O)CNS(=O)(=O)c1ccc(C)c(C(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O3S/c1-3-16-11(18)7-17-21(19,20)9-5-4-8(2)10(6-9)12(13,14)15/h4-6,17H,3,7H2,1-2H3,(H,16,18)
InChIKeyOYGWUWZHRSHFQM-UHFFFAOYSA-N
MW324.32 g/mol
LogP1.43
Rot. Bonds5

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

N-ethyl-2-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]acetamide (PubChem CID 51102093) has the molecular formula C12H15F3N2O3S and a molecular weight of 324.32 g/mol. Its IUPAC name is N-ethyl-2-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
PubChem CID51102093
Molecular FormulaC12H15F3N2O3S
Molecular Weight324.32 g/mol
Exact Mass324.08
IUPAC NameN-ethyl-2-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
SMILESCCNC(=O)CNS(=O)(=O)c1ccc(C)c(C(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O3S/c1-3-16-11(18)7-17-21(19,20)9-5-4-8(2)10(6-9)12(13,14)15/h4-6,17H,3,7H2,1-2H3,(H,16,18)
InChIKeyOYGWUWZHRSHFQM-UHFFFAOYSA-N
XLogP1.43
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[2-(methylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 119972929
N-[(2R)-2-(ethylamino)propyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 120665056
N-(2-amino-2-methylpropyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119988055
N-ethyl-2-[(3-fluoro-4-nitrophenyl)sulfonylamino]acetamide
CID 82839125
N-[2-(ethylamino)ethyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 119509116
N-(4-aminobutyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 120583345
2-bromo-5-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 43398569
5-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]-2-iodobenzoic acid
CID 103962308
4-methyl-N-[2-(methylamino)propyl]-3-(trifluoromethyl)benzenesulfonamide
CID 120825538
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 55547144
N-(2-ethylsulfonylethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56550783
2-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-ethylacetamide
CID 116791519

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The IUPAC name of N-ethyl-2-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]acetamide (CID 51102093) is N-ethyl-2-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]acetamide.
What is the SMILES notation for N-ethyl-2-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The canonical SMILES for N-ethyl-2-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]acetamide is CCNC(=O)CNS(=O)(=O)c1ccc(C)c(C(F)(F)F)c1.
What is the InChIKey of N-ethyl-2-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The InChIKey is OYGWUWZHRSHFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3S/c1-3-16-11(18)7-17-21(19,20)9-5-4-8(2)10(6-9)12(13,14)15/h4-6,17H,3,7H2,1-2H3,(H,16,18).
What are the key properties of N-ethyl-2-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
N-ethyl-2-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]acetamide has a molecular weight of 324.32 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]acetamide is sourced from PubChem (CID 51102093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).