(E)-3-thiophen-2-yl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]prop-2-enamide

C15H13F3N2O3S2 — CID 9474835

IUPAC(E)-3-thiophen-2-yl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1cccs1)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C15H13F3N2O3S2/c16-15(17,18)10-19-25(22,23)13-6-3-11(4-7-13)20-14(21)8-5-12-2-1-9-24-12/h1-9,19H,10H2,(H,20,21)/b8-5+
InChIKeyZZEZBNHVTIGOBQ-VMPITWQZSA-N
MW390.41 g/mol
LogP3.24
Rot. Bonds6

About (E)-3-thiophen-2-yl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]prop-2-enamide

(E)-3-thiophen-2-yl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]prop-2-enamide (PubChem CID 9474835) has the molecular formula C15H13F3N2O3S2 and a molecular weight of 390.41 g/mol. Its IUPAC name is (E)-3-thiophen-2-yl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-thiophen-2-yl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]prop-2-enamide
PubChem CID9474835
Molecular FormulaC15H13F3N2O3S2
Molecular Weight390.41 g/mol
Exact Mass390.03
IUPAC Name(E)-3-thiophen-2-yl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1cccs1)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C15H13F3N2O3S2/c16-15(17,18)10-19-25(22,23)13-6-3-11(4-7-13)20-14(21)8-5-12-2-1-9-24-12/h1-9,19H,10H2,(H,20,21)/b8-5+
InChIKeyZZEZBNHVTIGOBQ-VMPITWQZSA-N
XLogP3.24
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-(dipropylsulfamoyl)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 4929254
(E)-N-(4-hydroxyphenyl)-3-thiophen-2-ylprop-2-enamide
CID 28739526
N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 3257983
(E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]prop-2-enamide
CID 25469691
(E)-3-thiophen-2-yl-N-[4-[4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide
CID 2165477
(E)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-thiophen-2-ylprop-2-enamide
CID 1144784
(E)-N-[4-(2-hydroxyethyl)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 110902147
N-[[4-(propan-2-ylsulfamoyl)phenyl]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 4924713
(E)-N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 17171135
N-[4-(dimethylamino)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 3336553
(E)-N-(4-cyanophenyl)-3-thiophen-2-ylprop-2-enamide
CID 2389446
N-(4-cyanophenyl)-3-thiophen-2-ylprop-2-enamide
CID 3662028

Frequently Asked Questions

What is the IUPAC name of (E)-3-thiophen-2-yl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-thiophen-2-yl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]prop-2-enamide (CID 9474835) is (E)-3-thiophen-2-yl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-thiophen-2-yl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-thiophen-2-yl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]prop-2-enamide is O=C(/C=C/c1cccs1)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1.
What is the InChIKey of (E)-3-thiophen-2-yl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]prop-2-enamide?
The InChIKey is ZZEZBNHVTIGOBQ-VMPITWQZSA-N. The full InChI is InChI=1S/C15H13F3N2O3S2/c16-15(17,18)10-19-25(22,23)13-6-3-11(4-7-13)20-14(21)8-5-12-2-1-9-24-12/h1-9,19H,10H2,(H,20,21)/b8-5+.
What are the key properties of (E)-3-thiophen-2-yl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]prop-2-enamide?
(E)-3-thiophen-2-yl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]prop-2-enamide has a molecular weight of 390.41 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-thiophen-2-yl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]prop-2-enamide is sourced from PubChem (CID 9474835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).