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

C17H13NO3S2 — CID 121131633

IUPAC(E)-3-(furan-2-yl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NCc1ccc(C(=O)c2cccs2)s1
InChIInChI=1S/C17H13NO3S2/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+
InChIKeyGVMMZMNSNLITQJ-VMPITWQZSA-N
MW343.43 g/mol
LogP3.96
Rot. Bonds6

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

(E)-3-(furan-2-yl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]prop-2-enamide (PubChem CID 121131633) has the molecular formula C17H13NO3S2 and a molecular weight of 343.43 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]prop-2-enamide
PubChem CID121131633
Molecular FormulaC17H13NO3S2
Molecular Weight343.43 g/mol
Exact Mass343.03
IUPAC Name(E)-3-(furan-2-yl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NCc1ccc(C(=O)c2cccs2)s1
InChIInChI=1S/C17H13NO3S2/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+
InChIKeyGVMMZMNSNLITQJ-VMPITWQZSA-N
XLogP3.96
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-(furan-2-yl)prop-2-enamide
CID 90612110
(E)-3-(3,4-dimethoxyphenyl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]prop-2-enamide
CID 121131727
(E)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-phenylprop-2-enamide
CID 90612120
1-prop-2-enyl-3-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]urea
CID 121131918
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
3,5-dimethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide
CID 121131645
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
2-(4-phenylphenyl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]acetamide
CID 121131732
(E)-3-(furan-2-yl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)prop-2-enamide
CID 114694014
3-(furan-2-yl)-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]prop-2-enamide
CID 72688726
3-fluoro-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide
CID 121131635

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]prop-2-enamide (CID 121131633) is (E)-3-(furan-2-yl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]prop-2-enamide is O=C(/C=C/c1ccco1)NCc1ccc(C(=O)c2cccs2)s1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]prop-2-enamide?
The InChIKey is GVMMZMNSNLITQJ-VMPITWQZSA-N. The full InChI is InChI=1S/C17H13NO3S2/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)-3-(furan-2-yl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]prop-2-enamide?
(E)-3-(furan-2-yl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]prop-2-enamide has a molecular weight of 343.43 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]prop-2-enamide is sourced from PubChem (CID 121131633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).