N-[(E)-1-(furan-2-yl)-3-oxo-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]thiophene-2-carboxamide

C19H13F3N2O3S — CID 5435553

IUPACN-[(E)-1-(furan-2-yl)-3-oxo-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)/C(=C\c1ccco1)NC(=O)c1cccs1
InChIInChI=1S/C19H13F3N2O3S/c20-19(21,22)12-4-1-5-13(10-12)23-17(25)15(11-14-6-2-8-27-14)24-18(26)16-7-3-9-28-16/h1-11H,(H,23,25)(H,24,26)/b15-11+
InChIKeyQIUSDEPQDGNWOS-RVDMUPIBSA-N
MW406.39 g/mol
LogP4.77
Rot. Bonds5

About N-[(E)-1-(furan-2-yl)-3-oxo-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]thiophene-2-carboxamide

N-[(E)-1-(furan-2-yl)-3-oxo-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]thiophene-2-carboxamide (PubChem CID 5435553) has the molecular formula C19H13F3N2O3S and a molecular weight of 406.39 g/mol. Its IUPAC name is N-[(E)-1-(furan-2-yl)-3-oxo-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(furan-2-yl)-3-oxo-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]thiophene-2-carboxamide
PubChem CID5435553
Molecular FormulaC19H13F3N2O3S
Molecular Weight406.39 g/mol
Exact Mass406.06
IUPAC NameN-[(E)-1-(furan-2-yl)-3-oxo-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)/C(=C\c1ccco1)NC(=O)c1cccs1
InChIInChI=1S/C19H13F3N2O3S/c20-19(21,22)12-4-1-5-13(10-12)23-17(25)15(11-14-6-2-8-27-14)24-18(26)16-7-3-9-28-16/h1-11H,(H,23,25)(H,24,26)/b15-11+
InChIKeyQIUSDEPQDGNWOS-RVDMUPIBSA-N
XLogP4.77
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.39
LogP ≤ 54.77
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(furan-2-yl)-3-oxo-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[(E)-1-(furan-2-yl)-3-oxo-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]thiophene-2-carboxamide (CID 5435553) is N-[(E)-1-(furan-2-yl)-3-oxo-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(E)-1-(furan-2-yl)-3-oxo-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[(E)-1-(furan-2-yl)-3-oxo-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]thiophene-2-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)/C(=C\c1ccco1)NC(=O)c1cccs1.
What is the InChIKey of N-[(E)-1-(furan-2-yl)-3-oxo-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]thiophene-2-carboxamide?
The InChIKey is QIUSDEPQDGNWOS-RVDMUPIBSA-N. The full InChI is InChI=1S/C19H13F3N2O3S/c20-19(21,22)12-4-1-5-13(10-12)23-17(25)15(11-14-6-2-8-27-14)24-18(26)16-7-3-9-28-16/h1-11H,(H,23,25)(H,24,26)/b15-11+.
What are the key properties of N-[(E)-1-(furan-2-yl)-3-oxo-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]thiophene-2-carboxamide?
N-[(E)-1-(furan-2-yl)-3-oxo-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]thiophene-2-carboxamide has a molecular weight of 406.39 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(furan-2-yl)-3-oxo-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 5435553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).