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

C18H19F3N2O4S — CID 9474792

IUPAC3-(2-methoxyphenyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide
SMILESCOc1ccccc1CCC(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C18H19F3N2O4S/c1-27-16-5-3-2-4-13(16)6-11-17(24)23-14-7-9-15(10-8-14)28(25,26)22-12-18(19,20)21/h2-5,7-10,22H,6,11-12H2,1H3,(H,23,24)
InChIKeyFTJZADMOZPRESE-UHFFFAOYSA-N
MW416.42 g/mol
LogP3.11
Rot. Bonds8

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

3-(2-methoxyphenyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide (PubChem CID 9474792) has the molecular formula C18H19F3N2O4S and a molecular weight of 416.42 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide
PubChem CID9474792
Molecular FormulaC18H19F3N2O4S
Molecular Weight416.42 g/mol
Exact Mass416.10
IUPAC Name3-(2-methoxyphenyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide
SMILESCOc1ccccc1CCC(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C18H19F3N2O4S/c1-27-16-5-3-2-4-13(16)6-11-17(24)23-14-7-9-15(10-8-14)28(25,26)22-12-18(19,20)21/h2-5,7-10,22H,6,11-12H2,1H3,(H,23,24)
InChIKeyFTJZADMOZPRESE-UHFFFAOYSA-N
XLogP3.11
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenyl)-3-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]urea
CID 9439467
3-(2-methoxyphenyl)-N-phenylpropanamide
CID 7732837
3-phenoxy-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide
CID 26425338
4-(methylamino)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide
CID 119692437
2-[4-[3-(2-methoxyphenyl)propanoylamino]phenyl]acetic acid
CID 17362890
3-methyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide
CID 9474697
2-(2-methoxyphenyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]acetamide
CID 3936695
3-(2,3-dimethoxyphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide
CID 55362952
N-(2-methoxyphenyl)-4-[3-(2-methoxyphenyl)propanoylamino]benzamide
CID 7998968
7-amino-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]heptanamide;hydrochloride
CID 119692432
3-[2-(2-methoxyphenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109025439
4-[3-(2-ethoxyphenyl)propanoylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 46585175

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide (CID 9474792) is 3-(2-methoxyphenyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide is COc1ccccc1CCC(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1.
What is the InChIKey of 3-(2-methoxyphenyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide?
The InChIKey is FTJZADMOZPRESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O4S/c1-27-16-5-3-2-4-13(16)6-11-17(24)23-14-7-9-15(10-8-14)28(25,26)22-12-18(19,20)21/h2-5,7-10,22H,6,11-12H2,1H3,(H,23,24).
What are the key properties of 3-(2-methoxyphenyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide?
3-(2-methoxyphenyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide has a molecular weight of 416.42 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 9474792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).