2-methoxy-N-[3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]acetamide

C16H15F3N2O5S — CID 35546488

IUPAC2-methoxy-N-[3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]acetamide
SMILESCOCC(=O)Nc1cccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C16H15F3N2O5S/c1-25-10-15(22)20-11-4-2-5-12(8-11)21-27(23,24)14-7-3-6-13(9-14)26-16(17,18)19/h2-9,21H,10H2,1H3,(H,20,22)
InChIKeyBOYUMVUOCVEHGR-UHFFFAOYSA-N
MW404.37 g/mol
LogP2.97
Rot. Bonds7

About 2-methoxy-N-[3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]acetamide

2-methoxy-N-[3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]acetamide (PubChem CID 35546488) has the molecular formula C16H15F3N2O5S and a molecular weight of 404.37 g/mol. Its IUPAC name is 2-methoxy-N-[3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]acetamide
PubChem CID35546488
Molecular FormulaC16H15F3N2O5S
Molecular Weight404.37 g/mol
Exact Mass404.07
IUPAC Name2-methoxy-N-[3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]acetamide
SMILESCOCC(=O)Nc1cccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C16H15F3N2O5S/c1-25-10-15(22)20-11-4-2-5-12(8-11)21-27(23,24)14-7-3-6-13(9-14)26-16(17,18)19/h2-9,21H,10H2,1H3,(H,20,22)
InChIKeyBOYUMVUOCVEHGR-UHFFFAOYSA-N
XLogP2.97
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.37
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 60725062
2,2-dimethyl-N-[3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]propanamide
CID 24662948
N-(3-acetylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 31688238
2-methoxy-N-[3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 35545961
2-methoxy-N-[3-[(4-methylsulfonylphenyl)sulfonylamino]phenyl]acetamide
CID 25335006
N-[3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]phenyl]-2-methoxyacetamide
CID 39831666
2-methoxy-N-[3-(methylsulfamoyl)phenyl]acetamide
CID 47175857
N-(4-methylsulfonylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 24662483
N-(3-ethynylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 31783498
N-(2,2,2-trifluoroethyl)-3-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzamide
CID 52699404
N-[2-methyl-3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]acetamide
CID 86922473
N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 24662739

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]acetamide?
The IUPAC name of 2-methoxy-N-[3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]acetamide (CID 35546488) is 2-methoxy-N-[3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]acetamide?
The canonical SMILES for 2-methoxy-N-[3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]acetamide is COCC(=O)Nc1cccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)c1.
What is the InChIKey of 2-methoxy-N-[3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]acetamide?
The InChIKey is BOYUMVUOCVEHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O5S/c1-25-10-15(22)20-11-4-2-5-12(8-11)21-27(23,24)14-7-3-6-13(9-14)26-16(17,18)19/h2-9,21H,10H2,1H3,(H,20,22).
What are the key properties of 2-methoxy-N-[3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]acetamide?
2-methoxy-N-[3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]acetamide has a molecular weight of 404.37 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 35546488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).