3-phenoxy-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide

C17H17F3N2O4S — CID 26425338

IUPAC3-phenoxy-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide
SMILESO=C(CCOc1ccccc1)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C17H17F3N2O4S/c18-17(19,20)12-21-27(24,25)15-8-6-13(7-9-15)22-16(23)10-11-26-14-4-2-1-3-5-14/h1-9,21H,10-12H2,(H,22,23)
InChIKeyCYTNVDJMZYMLRT-UHFFFAOYSA-N
MW402.39 g/mol
LogP2.93
Rot. Bonds8

About 3-phenoxy-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide

3-phenoxy-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide (PubChem CID 26425338) has the molecular formula C17H17F3N2O4S and a molecular weight of 402.39 g/mol. Its IUPAC name is 3-phenoxy-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name3-phenoxy-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide
PubChem CID26425338
Molecular FormulaC17H17F3N2O4S
Molecular Weight402.39 g/mol
Exact Mass402.09
IUPAC Name3-phenoxy-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide
SMILESO=C(CCOc1ccccc1)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C17H17F3N2O4S/c18-17(19,20)12-21-27(24,25)15-8-6-13(7-9-15)22-16(23)10-11-26-14-4-2-1-3-5-14/h1-9,21H,10-12H2,(H,22,23)
InChIKeyCYTNVDJMZYMLRT-UHFFFAOYSA-N
XLogP2.93
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.39
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(methylsulfamoyl)phenyl]-4-phenoxybutanamide
CID 9219640
3-(2-methoxyphenyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide
CID 9474792
4-(methylamino)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide
CID 119692437
3-phenoxy-N-(4-phenoxyphenyl)propanamide
CID 108795457
3-(4-ethylphenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 108807272
7-amino-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]heptanamide;hydrochloride
CID 119692432
3-methyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide
CID 9474697
N-(4-tert-butylphenyl)-3-phenoxypropanamide
CID 7658805
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide
CID 9474869
N-[3,5-bis(trifluoromethyl)phenyl]-3-phenoxypropanamide
CID 108795497
N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]naphthalene-2-carboxamide
CID 9474695
3-methoxy-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide
CID 9474698

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide?
The IUPAC name of 3-phenoxy-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide (CID 26425338) is 3-phenoxy-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 3-phenoxy-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 3-phenoxy-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide is O=C(CCOc1ccccc1)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1.
What is the InChIKey of 3-phenoxy-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide?
The InChIKey is CYTNVDJMZYMLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O4S/c18-17(19,20)12-21-27(24,25)15-8-6-13(7-9-15)22-16(23)10-11-26-14-4-2-1-3-5-14/h1-9,21H,10-12H2,(H,22,23).
What are the key properties of 3-phenoxy-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide?
3-phenoxy-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide has a molecular weight of 402.39 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 26425338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).