2,2,2-trifluoro-N-[(E)-3-[3-(propylsulfamoyl)phenyl]prop-2-enyl]acetamide

C14H17F3N2O3S — CID 87519136

IUPAC2,2,2-trifluoro-N-[(E)-3-[3-(propylsulfamoyl)phenyl]prop-2-enyl]acetamide
SMILESCCCNS(=O)(=O)c1cccc(/C=C/CNC(=O)C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O3S/c1-2-8-19-23(21,22)12-7-3-5-11(10-12)6-4-9-18-13(20)14(15,16)17/h3-7,10,19H,2,8-9H2,1H3,(H,18,20)/b6-4+
InChIKeyTYIODSJHAPRTFW-GQCTYLIASA-N
MW350.36 g/mol
LogP2.07
Rot. Bonds7

About 2,2,2-trifluoro-N-[(E)-3-[3-(propylsulfamoyl)phenyl]prop-2-enyl]acetamide

2,2,2-trifluoro-N-[(E)-3-[3-(propylsulfamoyl)phenyl]prop-2-enyl]acetamide (PubChem CID 87519136) has the molecular formula C14H17F3N2O3S and a molecular weight of 350.36 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(E)-3-[3-(propylsulfamoyl)phenyl]prop-2-enyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(E)-3-[3-(propylsulfamoyl)phenyl]prop-2-enyl]acetamide
PubChem CID87519136
Molecular FormulaC14H17F3N2O3S
Molecular Weight350.36 g/mol
Exact Mass350.09
IUPAC Name2,2,2-trifluoro-N-[(E)-3-[3-(propylsulfamoyl)phenyl]prop-2-enyl]acetamide
SMILESCCCNS(=O)(=O)c1cccc(/C=C/CNC(=O)C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O3S/c1-2-8-19-23(21,22)12-7-3-5-11(10-12)6-4-9-18-13(20)14(15,16)17/h3-7,10,19H,2,8-9H2,1H3,(H,18,20)/b6-4+
InChIKeyTYIODSJHAPRTFW-GQCTYLIASA-N
XLogP2.07
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-[(E)-3-[3-[(1-hydroxycyclohexyl)methylsulfonyl]phenyl]prop-2-enyl]acetamide
CID 87283140
N-heptan-4-yl-3-[(E)-3-[(2,2,2-trifluoroacetyl)amino]prop-1-enyl]benzamide
CID 87132456
N-[3-(3-methylsulfonylphenyl)prop-2-enyl]acetamide
CID 169465681
3-(propylsulfamoyl)benzoic acid
CID 2442822
3-[3-(2-acetamidoethylsulfamoyl)phenyl]prop-2-enoic acid
CID 76907873
3-fluoro-N-propylbenzenesulfonamide
CID 43212857
3-[(E)-4-hydroxy-3-oxobut-1-enyl]-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide
CID 159858709
tert-butyl N-[(E)-3-[3-(cyclohexylsulfamoyl)phenyl]prop-2-enyl]carbamate
CID 59280950
3-[3-[2-[ethyl(methyl)amino]ethylsulfamoyl]phenyl]prop-2-enoic acid
CID 76947502
3-[3-[[3-(methylamino)-3-oxopropyl]sulfamoyl]phenyl]prop-2-enoic acid
CID 76927143
(E)-3-[3-(2-phenylethylsulfamoyl)phenyl]prop-2-enoic acid
CID 22492494
3-[3-[(3-amino-3-oxopropyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 76907979

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(E)-3-[3-(propylsulfamoyl)phenyl]prop-2-enyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(E)-3-[3-(propylsulfamoyl)phenyl]prop-2-enyl]acetamide (CID 87519136) is 2,2,2-trifluoro-N-[(E)-3-[3-(propylsulfamoyl)phenyl]prop-2-enyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(E)-3-[3-(propylsulfamoyl)phenyl]prop-2-enyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(E)-3-[3-(propylsulfamoyl)phenyl]prop-2-enyl]acetamide is CCCNS(=O)(=O)c1cccc(/C=C/CNC(=O)C(F)(F)F)c1.
What is the InChIKey of 2,2,2-trifluoro-N-[(E)-3-[3-(propylsulfamoyl)phenyl]prop-2-enyl]acetamide?
The InChIKey is TYIODSJHAPRTFW-GQCTYLIASA-N. The full InChI is InChI=1S/C14H17F3N2O3S/c1-2-8-19-23(21,22)12-7-3-5-11(10-12)6-4-9-18-13(20)14(15,16)17/h3-7,10,19H,2,8-9H2,1H3,(H,18,20)/b6-4+.
What are the key properties of 2,2,2-trifluoro-N-[(E)-3-[3-(propylsulfamoyl)phenyl]prop-2-enyl]acetamide?
2,2,2-trifluoro-N-[(E)-3-[3-(propylsulfamoyl)phenyl]prop-2-enyl]acetamide has a molecular weight of 350.36 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(E)-3-[3-(propylsulfamoyl)phenyl]prop-2-enyl]acetamide is sourced from PubChem (CID 87519136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).