(E)-3-(2,6-difluorophenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide

C15H13F2NOS — CID 46492102

IUPAC(E)-3-(2,6-difluorophenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide
SMILESO=C(/C=C/c1c(F)cccc1F)NCCc1cccs1
InChIInChI=1S/C15H13F2NOS/c16-13-4-1-5-14(17)12(13)6-7-15(19)18-9-8-11-3-2-10-20-11/h1-7,10H,8-9H2,(H,18,19)/b7-6+
InChIKeyYXRSPSPLDHFGCX-VOTSOKGWSA-N
MW293.34 g/mol
LogP3.40
Rot. Bonds5

About (E)-3-(2,6-difluorophenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide

(E)-3-(2,6-difluorophenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide (PubChem CID 46492102) has the molecular formula C15H13F2NOS and a molecular weight of 293.34 g/mol. Its IUPAC name is (E)-3-(2,6-difluorophenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,6-difluorophenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide
PubChem CID46492102
Molecular FormulaC15H13F2NOS
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC Name(E)-3-(2,6-difluorophenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide
SMILESO=C(/C=C/c1c(F)cccc1F)NCCc1cccs1
InChIInChI=1S/C15H13F2NOS/c16-13-4-1-5-14(17)12(13)6-7-15(19)18-9-8-11-3-2-10-20-11/h1-7,10H,8-9H2,(H,18,19)/b7-6+
InChIKeyYXRSPSPLDHFGCX-VOTSOKGWSA-N
XLogP3.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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
2,3-difluoro-N-(2-thiophen-2-ylethyl)benzamide
CID 62649314
(E)-3-[4-(difluoromethoxy)phenyl]-N-(2-thiophen-2-ylethyl)prop-2-enamide
CID 26189419
(E)-3-(3-cyanophenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide
CID 39931408
(E)-3-(2-ethoxyphenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide
CID 32969540
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-thiophen-2-ylethyl)prop-2-enamide
CID 51298671
3-fluoro-2-(2-thiophen-2-ylethylcarbamoylamino)benzoic acid
CID 81498275
4-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide
CID 107021162
3-(2-chloro-6-fluorophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]prop-2-enamide
CID 77044373
(E)-3-(2-chloro-6-fluorophenyl)-N-propylprop-2-enamide
CID 6176761
2-hydroxy-N-(2-thiophen-2-ylethyl)acetamide
CID 13454159
(E)-3-(2-chloro-6-fluorophenyl)-N-[2-(3-chlorophenyl)ethyl]prop-2-enamide
CID 898247

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,6-difluorophenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide?
The IUPAC name of (E)-3-(2,6-difluorophenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide (CID 46492102) is (E)-3-(2,6-difluorophenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2,6-difluorophenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2,6-difluorophenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide is O=C(/C=C/c1c(F)cccc1F)NCCc1cccs1.
What is the InChIKey of (E)-3-(2,6-difluorophenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide?
The InChIKey is YXRSPSPLDHFGCX-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H13F2NOS/c16-13-4-1-5-14(17)12(13)6-7-15(19)18-9-8-11-3-2-10-20-11/h1-7,10H,8-9H2,(H,18,19)/b7-6+.
What are the key properties of (E)-3-(2,6-difluorophenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide?
(E)-3-(2,6-difluorophenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide has a molecular weight of 293.34 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,6-difluorophenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide is sourced from PubChem (CID 46492102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).