N-[(E)-3-(4-methoxyanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]furan-2-carboxamide

C19H16N2O4S — CID 5447486

IUPACN-[(E)-3-(4-methoxyanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]furan-2-carboxamide
SMILESCOc1ccc(NC(=O)/C(=C\c2cccs2)NC(=O)c2ccco2)cc1
InChIInChI=1S/C19H16N2O4S/c1-24-14-8-6-13(7-9-14)20-18(22)16(12-15-4-3-11-26-15)21-19(23)17-5-2-10-25-17/h2-12H,1H3,(H,20,22)(H,21,23)/b16-12+
InChIKeyQVLIBGMZHYJGQI-FOWTUZBSSA-N
MW368.41 g/mol
LogP3.76
Rot. Bonds6

About N-[(E)-3-(4-methoxyanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]furan-2-carboxamide

N-[(E)-3-(4-methoxyanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]furan-2-carboxamide (PubChem CID 5447486) has the molecular formula C19H16N2O4S and a molecular weight of 368.41 g/mol. Its IUPAC name is N-[(E)-3-(4-methoxyanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-3-(4-methoxyanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]furan-2-carboxamide
PubChem CID5447486
Molecular FormulaC19H16N2O4S
Molecular Weight368.41 g/mol
Exact Mass368.08
IUPAC NameN-[(E)-3-(4-methoxyanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]furan-2-carboxamide
SMILESCOc1ccc(NC(=O)/C(=C\c2cccs2)NC(=O)c2ccco2)cc1
InChIInChI=1S/C19H16N2O4S/c1-24-14-8-6-13(7-9-14)20-18(22)16(12-15-4-3-11-26-15)21-19(23)17-5-2-10-25-17/h2-12H,1H3,(H,20,22)(H,21,23)/b16-12+
InChIKeyQVLIBGMZHYJGQI-FOWTUZBSSA-N
XLogP3.76
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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)-3-(4-methoxyanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(E)-3-(4-methoxyanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]furan-2-carboxamide (CID 5447486) is N-[(E)-3-(4-methoxyanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(E)-3-(4-methoxyanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(E)-3-(4-methoxyanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]furan-2-carboxamide is COc1ccc(NC(=O)/C(=C\c2cccs2)NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[(E)-3-(4-methoxyanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]furan-2-carboxamide?
The InChIKey is QVLIBGMZHYJGQI-FOWTUZBSSA-N. The full InChI is InChI=1S/C19H16N2O4S/c1-24-14-8-6-13(7-9-14)20-18(22)16(12-15-4-3-11-26-15)21-19(23)17-5-2-10-25-17/h2-12H,1H3,(H,20,22)(H,21,23)/b16-12+.
What are the key properties of N-[(E)-3-(4-methoxyanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]furan-2-carboxamide?
N-[(E)-3-(4-methoxyanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]furan-2-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(4-methoxyanilino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]furan-2-carboxamide is sourced from PubChem (CID 5447486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).