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

C19H13F3N2O3S — CID 1320934

IUPACN-[3-oxo-1-thiophen-2-yl-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]furan-2-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)C(=Cc1cccs1)NC(=O)c1ccco1
InChIInChI=1S/C19H13F3N2O3S/c20-19(21,22)12-4-1-5-13(10-12)23-17(25)15(11-14-6-3-9-28-14)24-18(26)16-7-2-8-27-16/h1-11H,(H,23,25)(H,24,26)
InChIKeyLIVUSSDQYZTMTE-UHFFFAOYSA-N
MW406.39 g/mol
LogP4.77
Rot. Bonds5

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

N-[3-oxo-1-thiophen-2-yl-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]furan-2-carboxamide (PubChem CID 1320934) has the molecular formula C19H13F3N2O3S and a molecular weight of 406.39 g/mol. Its IUPAC name is N-[3-oxo-1-thiophen-2-yl-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-1-thiophen-2-yl-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]furan-2-carboxamide
PubChem CID1320934
Molecular FormulaC19H13F3N2O3S
Molecular Weight406.39 g/mol
Exact Mass406.06
IUPAC NameN-[3-oxo-1-thiophen-2-yl-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]furan-2-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)C(=Cc1cccs1)NC(=O)c1ccco1
InChIInChI=1S/C19H13F3N2O3S/c20-19(21,22)12-4-1-5-13(10-12)23-17(25)15(11-14-6-3-9-28-14)24-18(26)16-7-2-8-27-16/h1-11H,(H,23,25)(H,24,26)
InChIKeyLIVUSSDQYZTMTE-UHFFFAOYSA-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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Related Compounds

N-[3-oxo-1-thiophen-2-yl-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]benzamide
CID 997452
N-[3-oxo-1-pyridin-3-yl-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]furan-2-carboxamide
CID 2941949
N-[(Z)-3-oxo-3-[4-[1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]sulfanylanilino]-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 22189346
N-[(E)-3-(3-acetylanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-2-carboxamide
CID 5347264
N'-(thiophen-2-ylmethylideneamino)-N-[3-(trifluoromethyl)phenyl]oxamide
CID 2244375
N-[(Z)-3-(3-acetylanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 2262889
N-[3-(3-chloroanilino)-3-oxo-1-phenylprop-1-en-2-yl]furan-2-carboxamide
CID 2945780
N-[(2R)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]furan-2-carboxamide
CID 42561579
N-[(E)-1-(4-bromophenyl)-3-(3-methylanilino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 5441805
N-[1-oxo-3-phenyl-1-[3-(trifluoromethyl)anilino]propan-2-yl]furan-2-carboxamide
CID 112762822
N-[(Z)-3-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]anilino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 22787878
N-[3-(3-acetylanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-3,4-dimethylbenzamide
CID 4687840

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-1-thiophen-2-yl-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]furan-2-carboxamide?
The IUPAC name of N-[3-oxo-1-thiophen-2-yl-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]furan-2-carboxamide (CID 1320934) is N-[3-oxo-1-thiophen-2-yl-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[3-oxo-1-thiophen-2-yl-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[3-oxo-1-thiophen-2-yl-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]furan-2-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)C(=Cc1cccs1)NC(=O)c1ccco1.
What is the InChIKey of N-[3-oxo-1-thiophen-2-yl-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]furan-2-carboxamide?
The InChIKey is LIVUSSDQYZTMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O3S/c20-19(21,22)12-4-1-5-13(10-12)23-17(25)15(11-14-6-3-9-28-14)24-18(26)16-7-2-8-27-16/h1-11H,(H,23,25)(H,24,26).
What are the key properties of N-[3-oxo-1-thiophen-2-yl-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]furan-2-carboxamide?
N-[3-oxo-1-thiophen-2-yl-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]furan-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-[3-oxo-1-thiophen-2-yl-3-[3-(trifluoromethyl)anilino]prop-1-en-2-yl]furan-2-carboxamide is sourced from PubChem (CID 1320934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).