ethyl 2-[2-methylpropyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetate

C15H20F3NO4S — CID 55663353

IUPACethyl 2-[2-methylpropyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetate
SMILESCCOC(=O)CN(CC(C)C)S(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H20F3NO4S/c1-4-23-14(20)10-19(9-11(2)3)24(21,22)13-8-6-5-7-12(13)15(16,17)18/h5-8,11H,4,9-10H2,1-3H3
InChIKeySEIWXGDZFMNVOQ-UHFFFAOYSA-N
MW367.39 g/mol
LogP2.92
Rot. Bonds7

About ethyl 2-[2-methylpropyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetate

ethyl 2-[2-methylpropyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetate (PubChem CID 55663353) has the molecular formula C15H20F3NO4S and a molecular weight of 367.39 g/mol. Its IUPAC name is ethyl 2-[2-methylpropyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-methylpropyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetate
PubChem CID55663353
Molecular FormulaC15H20F3NO4S
Molecular Weight367.39 g/mol
Exact Mass367.11
IUPAC Nameethyl 2-[2-methylpropyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetate
SMILESCCOC(=O)CN(CC(C)C)S(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H20F3NO4S/c1-4-23-14(20)10-19(9-11(2)3)24(21,22)13-8-6-5-7-12(13)15(16,17)18/h5-8,11H,4,9-10H2,1-3H3
InChIKeySEIWXGDZFMNVOQ-UHFFFAOYSA-N
XLogP2.92
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]acetate
CID 10663093
ethyl 2-[(5-amino-1H-pyrazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetate
CID 61107551
ethyl 2-[[2-(difluoromethylsulfonyl)phenyl]sulfonyl-propylamino]acetate
CID 100675052
ethyl 3-[2-(trifluoromethyl)phenyl]sulfonylpropanoate
CID 106584509
ethyl 2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-(2-methylpropyl)amino]acetate
CID 61107552
N-ethyl-N-(2-methylprop-2-enyl)-2-(trifluoromethyl)benzenesulfonamide
CID 78787053
N-(2-aminoethyl)-N-propyl-2-(trifluoromethyl)benzenesulfonamide
CID 61349925
ethyl 2-[2-methylpropyl(sulfamoyl)amino]acetate
CID 112685988
N-(1-chloropropan-2-yl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 104556465
ethyl (3R)-3-amino-3-[2-(trifluoromethyl)phenyl]propanoate
CID 29059632
N-(1-amino-2-methylpropan-2-yl)-N-ethyl-2-(trifluoromethyl)benzenesulfonamide
CID 62008042
N-(2-bromoethyl)-N-butyl-2-(trifluoromethyl)benzenesulfonamide
CID 80669345

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-methylpropyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetate?
The IUPAC name of ethyl 2-[2-methylpropyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetate (CID 55663353) is ethyl 2-[2-methylpropyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetate.
What is the SMILES notation for ethyl 2-[2-methylpropyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetate?
The canonical SMILES for ethyl 2-[2-methylpropyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetate is CCOC(=O)CN(CC(C)C)S(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of ethyl 2-[2-methylpropyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetate?
The InChIKey is SEIWXGDZFMNVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO4S/c1-4-23-14(20)10-19(9-11(2)3)24(21,22)13-8-6-5-7-12(13)15(16,17)18/h5-8,11H,4,9-10H2,1-3H3.
What are the key properties of ethyl 2-[2-methylpropyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetate?
ethyl 2-[2-methylpropyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetate has a molecular weight of 367.39 g/mol, XLogP of 2.92, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-methylpropyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetate is sourced from PubChem (CID 55663353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).