N-[4-[[2-ethoxy-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide

C17H17F3N2O4S — CID 990969

IUPACN-[4-[[2-ethoxy-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
SMILESCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C17H17F3N2O4S/c1-3-26-16-9-4-12(17(18,19)20)10-15(16)22-27(24,25)14-7-5-13(6-8-14)21-11(2)23/h4-10,22H,3H2,1-2H3,(H,21,23)
InChIKeyXWHSDAMUFMNYQH-UHFFFAOYSA-N
MW402.39 g/mol
LogP3.86
Rot. Bonds6

About N-[4-[[2-ethoxy-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide

N-[4-[[2-ethoxy-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide (PubChem CID 990969) has the molecular formula C17H17F3N2O4S and a molecular weight of 402.39 g/mol. Its IUPAC name is N-[4-[[2-ethoxy-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-ethoxy-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
PubChem CID990969
Molecular FormulaC17H17F3N2O4S
Molecular Weight402.39 g/mol
Exact Mass402.09
IUPAC NameN-[4-[[2-ethoxy-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
SMILESCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C17H17F3N2O4S/c1-3-26-16-9-4-12(17(18,19)20)10-15(16)22-27(24,25)14-7-5-13(6-8-14)21-11(2)23/h4-10,22H,3H2,1-2H3,(H,21,23)
InChIKeyXWHSDAMUFMNYQH-UHFFFAOYSA-N
XLogP3.86
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.39
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 22773509
N-[4-[(3,4-diethoxyphenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]acetamide
CID 24604753
N-[4-[[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 17458180
N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 1069109
4-acetamido-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide
CID 26175480
N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide
CID 2465067
N-[5-[(3,4-diethoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide
CID 24656762
1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-propan-2-ylurea
CID 60586531
4-fluoro-N-[2-methoxy-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3463733
2-chloro-N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide
CID 698335
ethyl 4-[[2-[(4-acetamidophenyl)sulfonylamino]-4-chlorophenoxy]methyl]benzoate
CID 177311356
4-ethoxy-3-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 39824387

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-ethoxy-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[2-ethoxy-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide (CID 990969) is N-[4-[[2-ethoxy-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[2-ethoxy-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[2-ethoxy-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide is CCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[[2-ethoxy-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide?
The InChIKey is XWHSDAMUFMNYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O4S/c1-3-26-16-9-4-12(17(18,19)20)10-15(16)22-27(24,25)14-7-5-13(6-8-14)21-11(2)23/h4-10,22H,3H2,1-2H3,(H,21,23).
What are the key properties of N-[4-[[2-ethoxy-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide?
N-[4-[[2-ethoxy-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide has a molecular weight of 402.39 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-ethoxy-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 990969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).