N-[3-(3-fluoroanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]thiophene-3-carboxamide

C18H13FN2O3S — CID 1239310

IUPACN-[3-(3-fluoroanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]thiophene-3-carboxamide
SMILESO=C(Nc1cccc(F)c1)C(=Cc1ccco1)NC(=O)c1ccsc1
InChIInChI=1S/C18H13FN2O3S/c19-13-3-1-4-14(9-13)20-18(23)16(10-15-5-2-7-24-15)21-17(22)12-6-8-25-11-12/h1-11H,(H,20,23)(H,21,22)
InChIKeyXZIAADWPGSPNDZ-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.89
Rot. Bonds5

About N-[3-(3-fluoroanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]thiophene-3-carboxamide

N-[3-(3-fluoroanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]thiophene-3-carboxamide (PubChem CID 1239310) has the molecular formula C18H13FN2O3S and a molecular weight of 356.38 g/mol. Its IUPAC name is N-[3-(3-fluoroanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-fluoroanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]thiophene-3-carboxamide
PubChem CID1239310
Molecular FormulaC18H13FN2O3S
Molecular Weight356.38 g/mol
Exact Mass356.06
IUPAC NameN-[3-(3-fluoroanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]thiophene-3-carboxamide
SMILESO=C(Nc1cccc(F)c1)C(=Cc1ccco1)NC(=O)c1ccsc1
InChIInChI=1S/C18H13FN2O3S/c19-13-3-1-4-14(9-13)20-18(23)16(10-15-5-2-7-24-15)21-17(22)12-6-8-25-11-12/h1-11H,(H,20,23)(H,21,22)
InChIKeyXZIAADWPGSPNDZ-UHFFFAOYSA-N
XLogP3.89
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.89
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-[(E)-3-(3-fluoroanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]thiophene-3-carboxamide
CID 5290963
N-[(Z)-1-(furan-2-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]thiophene-3-carboxamide
CID 6284229
N-[1-(furan-2-yl)-3-(4-hydroxyanilino)-3-oxoprop-1-en-2-yl]benzamide
CID 828229
N-[(Z)-1-(furan-2-yl)-3-(4-methylanilino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 40520569
N-[3-(3,4-dimethylanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 2836098
N-[(Z)-1-(furan-2-yl)-3-[3-[methyl(propan-2-yl)amino]anilino]-3-oxoprop-1-en-2-yl]benzamide
CID 86942665
N-[(Z)-3-(4-chloroanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 86942191
N-[(Z)-1-(furan-2-yl)-3-oxo-3-[3-[2-oxo-2-(2,3,5,6-tetrafluoroanilino)ethyl]sulfanylanilino]prop-1-en-2-yl]benzamide
CID 19310913
N-[(Z)-1-(furan-2-yl)-3-(naphthalen-2-ylamino)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
CID 100753628
N-[1-(furan-2-yl)-3-oxo-3-[3-(pyridin-3-ylmethoxy)anilino]prop-1-en-2-yl]benzamide
CID 103599539
N-[(Z)-3-[3-(3,5-dimethylpyrazol-1-yl)anilino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 86942382
4-[[2-[3-[[(Z)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]phenyl]sulfanylacetyl]amino]benzoic acid
CID 19310907

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluoroanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]thiophene-3-carboxamide?
The IUPAC name of N-[3-(3-fluoroanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]thiophene-3-carboxamide (CID 1239310) is N-[3-(3-fluoroanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-(3-fluoroanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-(3-fluoroanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]thiophene-3-carboxamide is O=C(Nc1cccc(F)c1)C(=Cc1ccco1)NC(=O)c1ccsc1.
What is the InChIKey of N-[3-(3-fluoroanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]thiophene-3-carboxamide?
The InChIKey is XZIAADWPGSPNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O3S/c19-13-3-1-4-14(9-13)20-18(23)16(10-15-5-2-7-24-15)21-17(22)12-6-8-25-11-12/h1-11H,(H,20,23)(H,21,22).
What are the key properties of N-[3-(3-fluoroanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]thiophene-3-carboxamide?
N-[3-(3-fluoroanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]thiophene-3-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluoroanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]thiophene-3-carboxamide is sourced from PubChem (CID 1239310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).