(E)-N-(2,3-difluorophenyl)-3-(4-pyridin-3-ylthiophen-2-yl)prop-2-enamide

C18H12F2N2OS — CID 59149613

IUPAC(E)-N-(2,3-difluorophenyl)-3-(4-pyridin-3-ylthiophen-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1cc(-c2cccnc2)cs1)Nc1cccc(F)c1F
InChIInChI=1S/C18H12F2N2OS/c19-15-4-1-5-16(18(15)20)22-17(23)7-6-14-9-13(11-24-14)12-3-2-8-21-10-12/h1-11H,(H,22,23)/b7-6+
InChIKeyCWYDPVVASWKQIA-VOTSOKGWSA-N
MW342.37 g/mol
LogP4.74
Rot. Bonds4

About (E)-N-(2,3-difluorophenyl)-3-(4-pyridin-3-ylthiophen-2-yl)prop-2-enamide

(E)-N-(2,3-difluorophenyl)-3-(4-pyridin-3-ylthiophen-2-yl)prop-2-enamide (PubChem CID 59149613) has the molecular formula C18H12F2N2OS and a molecular weight of 342.37 g/mol. Its IUPAC name is (E)-N-(2,3-difluorophenyl)-3-(4-pyridin-3-ylthiophen-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,3-difluorophenyl)-3-(4-pyridin-3-ylthiophen-2-yl)prop-2-enamide
PubChem CID59149613
Molecular FormulaC18H12F2N2OS
Molecular Weight342.37 g/mol
Exact Mass342.06
IUPAC Name(E)-N-(2,3-difluorophenyl)-3-(4-pyridin-3-ylthiophen-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1cc(-c2cccnc2)cs1)Nc1cccc(F)c1F
InChIInChI=1S/C18H12F2N2OS/c19-15-4-1-5-16(18(15)20)22-17(23)7-6-14-9-13(11-24-14)12-3-2-8-21-10-12/h1-11H,(H,22,23)/b7-6+
InChIKeyCWYDPVVASWKQIA-VOTSOKGWSA-N
XLogP4.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 54.74
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,3-difluorophenyl)-3-(4-pyridin-3-ylthiophen-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(2,3-difluorophenyl)-3-(4-pyridin-3-ylthiophen-2-yl)prop-2-enamide (CID 59149613) is (E)-N-(2,3-difluorophenyl)-3-(4-pyridin-3-ylthiophen-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2,3-difluorophenyl)-3-(4-pyridin-3-ylthiophen-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(2,3-difluorophenyl)-3-(4-pyridin-3-ylthiophen-2-yl)prop-2-enamide is O=C(/C=C/c1cc(-c2cccnc2)cs1)Nc1cccc(F)c1F.
What is the InChIKey of (E)-N-(2,3-difluorophenyl)-3-(4-pyridin-3-ylthiophen-2-yl)prop-2-enamide?
The InChIKey is CWYDPVVASWKQIA-VOTSOKGWSA-N. The full InChI is InChI=1S/C18H12F2N2OS/c19-15-4-1-5-16(18(15)20)22-17(23)7-6-14-9-13(11-24-14)12-3-2-8-21-10-12/h1-11H,(H,22,23)/b7-6+.
What are the key properties of (E)-N-(2,3-difluorophenyl)-3-(4-pyridin-3-ylthiophen-2-yl)prop-2-enamide?
(E)-N-(2,3-difluorophenyl)-3-(4-pyridin-3-ylthiophen-2-yl)prop-2-enamide has a molecular weight of 342.37 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,3-difluorophenyl)-3-(4-pyridin-3-ylthiophen-2-yl)prop-2-enamide is sourced from PubChem (CID 59149613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).