(E)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-phenylprop-2-enamide

C19H15NO3S — CID 90612120

IUPAC(E)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCc1ccc(C(=O)c2ccco2)s1
InChIInChI=1S/C19H15NO3S/c21-18(11-8-14-5-2-1-3-6-14)20-13-15-9-10-17(24-15)19(22)16-7-4-12-23-16/h1-12H,13H2,(H,20,21)/b11-8+
InChIKeyDEEYZRWYRBIVFR-DHZHZOJOSA-N
MW337.40 g/mol
LogP3.90
Rot. Bonds6

About (E)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-phenylprop-2-enamide

(E)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-phenylprop-2-enamide (PubChem CID 90612120) has the molecular formula C19H15NO3S and a molecular weight of 337.40 g/mol. Its IUPAC name is (E)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-phenylprop-2-enamide
PubChem CID90612120
Molecular FormulaC19H15NO3S
Molecular Weight337.40 g/mol
Exact Mass337.08
IUPAC Name(E)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCc1ccc(C(=O)c2ccco2)s1
InChIInChI=1S/C19H15NO3S/c21-18(11-8-14-5-2-1-3-6-14)20-13-15-9-10-17(24-15)19(22)16-7-4-12-23-16/h1-12H,13H2,(H,20,21)/b11-8+
InChIKeyDEEYZRWYRBIVFR-DHZHZOJOSA-N
XLogP3.90
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-(furan-2-yl)prop-2-enamide
CID 90612110
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-(3-methylphenyl)acetamide
CID 90612127
(E)-N-[(5-benzoylthiophen-2-yl)methyl]-3-(4-methylsulfanylphenyl)prop-2-enamide
CID 121132013
(E)-3-(furan-2-yl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]prop-2-enamide
CID 121131633
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]pyridine-4-carboxamide
CID 90612101
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-1H-indole-2-carboxamide
CID 90613186
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]pyrazine-2-carboxamide
CID 90612104
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 72717520
1-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 90612474
(1S)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 97427119
(E)-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-phenylprop-2-enamide
CID 117055113
[5-(2-aminoethyl)thiophen-2-yl]-(furan-2-yl)methanone;hydrobromide
CID 72716721

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-phenylprop-2-enamide (CID 90612120) is (E)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)NCc1ccc(C(=O)c2ccco2)s1.
What is the InChIKey of (E)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-phenylprop-2-enamide?
The InChIKey is DEEYZRWYRBIVFR-DHZHZOJOSA-N. The full InChI is InChI=1S/C19H15NO3S/c21-18(11-8-14-5-2-1-3-6-14)20-13-15-9-10-17(24-15)19(22)16-7-4-12-23-16/h1-12H,13H2,(H,20,21)/b11-8+.
What are the key properties of (E)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-phenylprop-2-enamide?
(E)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-phenylprop-2-enamide has a molecular weight of 337.40 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 90612120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).