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

C17H13NO4S — CID 90612110

IUPAC(E)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NCc1ccc(C(=O)c2ccco2)s1
InChIInChI=1S/C17H13NO4S/c19-16(8-5-12-3-1-9-21-12)18-11-13-6-7-15(23-13)17(20)14-4-2-10-22-14/h1-10H,11H2,(H,18,19)/b8-5+
InChIKeyCJSWSJHWESUFAN-VMPITWQZSA-N
MW327.36 g/mol
LogP3.49
Rot. Bonds6

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

(E)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-(furan-2-yl)prop-2-enamide (PubChem CID 90612110) has the molecular formula C17H13NO4S and a molecular weight of 327.36 g/mol. Its IUPAC name is (E)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-(furan-2-yl)prop-2-enamide
PubChem CID90612110
Molecular FormulaC17H13NO4S
Molecular Weight327.36 g/mol
Exact Mass327.06
IUPAC Name(E)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NCc1ccc(C(=O)c2ccco2)s1
InChIInChI=1S/C17H13NO4S/c19-16(8-5-12-3-1-9-21-12)18-11-13-6-7-15(23-13)17(20)14-4-2-10-22-14/h1-10H,11H2,(H,18,19)/b8-5+
InChIKeyCJSWSJHWESUFAN-VMPITWQZSA-N
XLogP3.49
TPSA72.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-phenylprop-2-enamide
CID 90612120
(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]-2-(3-methylphenyl)acetamide
CID 90612127
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-methylbutanamide
CID 72717480
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-(trifluoromethyl)benzamide
CID 90612194
2,6-difluoro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]benzamide
CID 72717493
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]pyridine-4-carboxamide
CID 90612101
3-(furan-2-yl)-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 963854
(E)-N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)prop-2-enamide
CID 779270
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
(E)-3-(furan-2-yl)-N-(2-phenylethyl)prop-2-enamide
CID 790283
1-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-[(4-methoxyphenyl)methyl]urea
CID 90612463

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-(furan-2-yl)prop-2-enamide (CID 90612110) is (E)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-(furan-2-yl)prop-2-enamide is O=C(/C=C/c1ccco1)NCc1ccc(C(=O)c2ccco2)s1.
What is the InChIKey of (E)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-(furan-2-yl)prop-2-enamide?
The InChIKey is CJSWSJHWESUFAN-VMPITWQZSA-N. The full InChI is InChI=1S/C17H13NO4S/c19-16(8-5-12-3-1-9-21-12)18-11-13-6-7-15(23-13)17(20)14-4-2-10-22-14/h1-10H,11H2,(H,18,19)/b8-5+.
What are the key properties of (E)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-(furan-2-yl)prop-2-enamide?
(E)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-(furan-2-yl)prop-2-enamide has a molecular weight of 327.36 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 90612110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).