(E)-3-[4-(difluoromethoxy)phenyl]-N-(2-thiophen-2-ylethyl)prop-2-enamide

C16H15F2NO2S — CID 26189419

IUPAC(E)-3-[4-(difluoromethoxy)phenyl]-N-(2-thiophen-2-ylethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(OC(F)F)cc1)NCCc1cccs1
InChIInChI=1S/C16H15F2NO2S/c17-16(18)21-13-6-3-12(4-7-13)5-8-15(20)19-10-9-14-2-1-11-22-14/h1-8,11,16H,9-10H2,(H,19,20)/b8-5+
InChIKeyYAFCGWSOGMZWJS-VMPITWQZSA-N
MW323.36 g/mol
LogP3.72
Rot. Bonds7

About (E)-3-[4-(difluoromethoxy)phenyl]-N-(2-thiophen-2-ylethyl)prop-2-enamide

(E)-3-[4-(difluoromethoxy)phenyl]-N-(2-thiophen-2-ylethyl)prop-2-enamide (PubChem CID 26189419) has the molecular formula C16H15F2NO2S and a molecular weight of 323.36 g/mol. Its IUPAC name is (E)-3-[4-(difluoromethoxy)phenyl]-N-(2-thiophen-2-ylethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(difluoromethoxy)phenyl]-N-(2-thiophen-2-ylethyl)prop-2-enamide
PubChem CID26189419
Molecular FormulaC16H15F2NO2S
Molecular Weight323.36 g/mol
Exact Mass323.08
IUPAC Name(E)-3-[4-(difluoromethoxy)phenyl]-N-(2-thiophen-2-ylethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(OC(F)F)cc1)NCCc1cccs1
InChIInChI=1S/C16H15F2NO2S/c17-16(18)21-13-6-3-12(4-7-13)5-8-15(20)19-10-9-14-2-1-11-22-14/h1-8,11,16H,9-10H2,(H,19,20)/b8-5+
InChIKeyYAFCGWSOGMZWJS-VMPITWQZSA-N
XLogP3.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-thiophen-2-yl-N-(2-thiophen-2-ylethyl)prop-2-enamide
CID 17407233
(E)-3-(2,6-difluorophenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide
CID 46492102
(E)-3-(3,4-dichlorophenyl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]prop-2-enamide
CID 7613581
(E)-3-[4-(difluoromethoxy)phenyl]-N-[2-(4-methoxyphenoxy)ethyl]prop-2-enamide
CID 26710370
(E)-3-[4-(difluoromethoxy)phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 8895534
(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-(2-thiophen-2-ylethyl)prop-2-enamide
CID 43008208
(E)-3-(2-ethoxyphenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide
CID 32969540
(E)-3-(3-cyanophenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide
CID 39931408
(E)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 7613519
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-thiophen-2-ylethyl)prop-2-enamide
CID 51298671
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]prop-2-enamide
CID 18204069
1-[4-(difluoromethoxy)phenyl]-N-(2-thiophen-2-ylethyl)ethanamine
CID 43201404

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(difluoromethoxy)phenyl]-N-(2-thiophen-2-ylethyl)prop-2-enamide?
The IUPAC name of (E)-3-[4-(difluoromethoxy)phenyl]-N-(2-thiophen-2-ylethyl)prop-2-enamide (CID 26189419) is (E)-3-[4-(difluoromethoxy)phenyl]-N-(2-thiophen-2-ylethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-[4-(difluoromethoxy)phenyl]-N-(2-thiophen-2-ylethyl)prop-2-enamide?
The canonical SMILES for (E)-3-[4-(difluoromethoxy)phenyl]-N-(2-thiophen-2-ylethyl)prop-2-enamide is O=C(/C=C/c1ccc(OC(F)F)cc1)NCCc1cccs1.
What is the InChIKey of (E)-3-[4-(difluoromethoxy)phenyl]-N-(2-thiophen-2-ylethyl)prop-2-enamide?
The InChIKey is YAFCGWSOGMZWJS-VMPITWQZSA-N. The full InChI is InChI=1S/C16H15F2NO2S/c17-16(18)21-13-6-3-12(4-7-13)5-8-15(20)19-10-9-14-2-1-11-22-14/h1-8,11,16H,9-10H2,(H,19,20)/b8-5+.
What are the key properties of (E)-3-[4-(difluoromethoxy)phenyl]-N-(2-thiophen-2-ylethyl)prop-2-enamide?
(E)-3-[4-(difluoromethoxy)phenyl]-N-(2-thiophen-2-ylethyl)prop-2-enamide has a molecular weight of 323.36 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(difluoromethoxy)phenyl]-N-(2-thiophen-2-ylethyl)prop-2-enamide is sourced from PubChem (CID 26189419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).