2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-N-(2,4-dimethoxyphenyl)acetamide

C18H16F6N2O5S — CID 17447496

IUPAC2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(OC)c1
InChIInChI=1S/C18H16F6N2O5S/c1-30-12-3-4-14(15(8-12)31-2)26-16(27)9-25-32(28,29)13-6-10(17(19,20)21)5-11(7-13)18(22,23)24/h3-8,25H,9H2,1-2H3,(H,26,27)
InChIKeySLUJHSPKHUMYCJ-UHFFFAOYSA-N
MW486.39 g/mol
LogP3.66
Rot. Bonds7

About 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-N-(2,4-dimethoxyphenyl)acetamide

2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-N-(2,4-dimethoxyphenyl)acetamide (PubChem CID 17447496) has the molecular formula C18H16F6N2O5S and a molecular weight of 486.39 g/mol. Its IUPAC name is 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-N-(2,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-N-(2,4-dimethoxyphenyl)acetamide
PubChem CID17447496
Molecular FormulaC18H16F6N2O5S
Molecular Weight486.39 g/mol
Exact Mass486.07
IUPAC Name2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(OC)c1
InChIInChI=1S/C18H16F6N2O5S/c1-30-12-3-4-14(15(8-12)31-2)26-16(27)9-25-32(28,29)13-6-10(17(19,20)21)5-11(7-13)18(22,23)24/h3-8,25H,9H2,1-2H3,(H,26,27)
InChIKeySLUJHSPKHUMYCJ-UHFFFAOYSA-N
XLogP3.66
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.39
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-bromophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 126155694
N-(2,4-dimethoxyphenyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide
CID 112999258
2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 112999269
2-(1,3-benzodioxol-5-ylsulfonylamino)-N-(2,4-dimethoxyphenyl)acetamide
CID 112999264
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 3572885
N-(2,5-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 21383211
2-(butylsulfonylamino)-N-(2,4-dimethoxyphenyl)acetamide
CID 112999249
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,4-dimethoxyanilino)acetamide
CID 109009526
N-(2,5-dimethoxyphenyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]acetamide
CID 112999196
N-(2,5-dimethoxyphenyl)-2-[(3-methylphenyl)sulfonylamino]acetamide
CID 112999205
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(2,4-dimethylphenyl)acetamide
CID 112996416
2-[(2,4-dimethoxyphenyl)sulfonylamino]-N-(2-ethoxyphenyl)acetamide
CID 112998835

Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-N-(2,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-N-(2,4-dimethoxyphenyl)acetamide (CID 17447496) is 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-N-(2,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-N-(2,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-N-(2,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)CNS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(OC)c1.
What is the InChIKey of 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-N-(2,4-dimethoxyphenyl)acetamide?
The InChIKey is SLUJHSPKHUMYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F6N2O5S/c1-30-12-3-4-14(15(8-12)31-2)26-16(27)9-25-32(28,29)13-6-10(17(19,20)21)5-11(7-13)18(22,23)24/h3-8,25H,9H2,1-2H3,(H,26,27).
What are the key properties of 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-N-(2,4-dimethoxyphenyl)acetamide?
2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-N-(2,4-dimethoxyphenyl)acetamide has a molecular weight of 486.39 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-N-(2,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 17447496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).