N-(4-ethoxy-3-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide

C18H19F3N2O4S — CID 86891705

IUPACN-(4-ethoxy-3-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
SMILESCCOc1ccc(NC(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1C
InChIInChI=1S/C18H19F3N2O4S/c1-3-27-16-8-7-14(9-12(16)2)23-17(24)11-22-28(25,26)15-6-4-5-13(10-15)18(19,20)21/h4-10,22H,3,11H2,1-2H3,(H,23,24)
InChIKeySBCLAHPTCOFABA-UHFFFAOYSA-N
MW416.42 g/mol
LogP3.33
Rot. Bonds7

About N-(4-ethoxy-3-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide

N-(4-ethoxy-3-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide (PubChem CID 86891705) has the molecular formula C18H19F3N2O4S and a molecular weight of 416.42 g/mol. Its IUPAC name is N-(4-ethoxy-3-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
PubChem CID86891705
Molecular FormulaC18H19F3N2O4S
Molecular Weight416.42 g/mol
Exact Mass416.10
IUPAC NameN-(4-ethoxy-3-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
SMILESCCOc1ccc(NC(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1C
InChIInChI=1S/C18H19F3N2O4S/c1-3-27-16-8-7-14(9-12(16)2)23-17(24)11-22-28(25,26)15-6-4-5-13(10-15)18(19,20)21/h4-10,22H,3,11H2,1-2H3,(H,23,24)
InChIKeySBCLAHPTCOFABA-UHFFFAOYSA-N
XLogP3.33
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-diethoxyphenyl)ethyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 55337425
ethyl (E)-3-[4-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]phenyl]prop-2-enoate
CID 55462439
N-[6-(diethylamino)-3-pyridinyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56545982
N-tert-butyl-4-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]benzamide
CID 55549476
N-[4-[acetyl(methyl)amino]phenyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56548568
4-ethoxy-3-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 39824387
N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 9302241
N-[4-[2-(dimethylamino)ethyl]phenyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56550778
N-[3-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]phenyl]cyclopropanecarboxamide
CID 56545994
N-[(3-ethoxyphenyl)methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56548712
2-[(4-fluorophenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 112999443
N-(2-ethylsulfonylethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56550783

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The IUPAC name of N-(4-ethoxy-3-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide (CID 86891705) is N-(4-ethoxy-3-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide.
What is the SMILES notation for N-(4-ethoxy-3-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The canonical SMILES for N-(4-ethoxy-3-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide is CCOc1ccc(NC(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1C.
What is the InChIKey of N-(4-ethoxy-3-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The InChIKey is SBCLAHPTCOFABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O4S/c1-3-27-16-8-7-14(9-12(16)2)23-17(24)11-22-28(25,26)15-6-4-5-13(10-15)18(19,20)21/h4-10,22H,3,11H2,1-2H3,(H,23,24).
What are the key properties of N-(4-ethoxy-3-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
N-(4-ethoxy-3-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide has a molecular weight of 416.42 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide is sourced from PubChem (CID 86891705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).