(E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-[(1S)-1-thiophen-2-ylethyl]prop-2-enamide

C17H19NO2S — CID 39435422

IUPAC(E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-[(1S)-1-thiophen-2-ylethyl]prop-2-enamide
SMILESC[C@H](NC(=O)/C=C/c1ccc([C@@H]2C[C@H]2C)o1)c1cccs1
InChIInChI=1S/C17H19NO2S/c1-11-10-14(11)15-7-5-13(20-15)6-8-17(19)18-12(2)16-4-3-9-21-16/h3-9,11-12,14H,10H2,1-2H3,(H,18,19)/b8-6+/t11-,12+,14-/m1/s1
InChIKeyLJGFIOPKGDDHEI-UHOFYVGMSA-N
MW301.41 g/mol
LogP4.36
Rot. Bonds5

About (E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-[(1S)-1-thiophen-2-ylethyl]prop-2-enamide

(E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-[(1S)-1-thiophen-2-ylethyl]prop-2-enamide (PubChem CID 39435422) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is (E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-[(1S)-1-thiophen-2-ylethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-[(1S)-1-thiophen-2-ylethyl]prop-2-enamide
PubChem CID39435422
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name(E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-[(1S)-1-thiophen-2-ylethyl]prop-2-enamide
SMILESC[C@H](NC(=O)/C=C/c1ccc([C@@H]2C[C@H]2C)o1)c1cccs1
InChIInChI=1S/C17H19NO2S/c1-11-10-14(11)15-7-5-13(20-15)6-8-17(19)18-12(2)16-4-3-9-21-16/h3-9,11-12,14H,10H2,1-2H3,(H,18,19)/b8-6+/t11-,12+,14-/m1/s1
InChIKeyLJGFIOPKGDDHEI-UHOFYVGMSA-N
XLogP4.36
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-[(1S)-1-thiophen-2-ylethyl]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-[(2S)-butan-2-yl]-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
CID 129419927
(2S)-N-tert-butyl-2-[[(Z)-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enoyl]amino]propanamide
CID 98727390
(E)-N-[(1S)-1-thiophen-2-ylethyl]but-2-enamide
CID 81409323
N-(1-hydroxy-4-methylpentan-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 61245613
(E)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
CID 124834120
N-[(1R)-1-thiophen-2-ylethyl]prop-2-enamide
CID 81408740
(E)-N-(3-hydroxy-2-methylpropyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 65037410
(E)-N-cyclohexyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 45352237
(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 43237027
(E)-N-[(1R,2R)-2-hydroxycyclohexyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 104927612
(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N'-(2-phenylacetyl)prop-2-enehydrazide
CID 42921726
(E)-N-(5-hydroxy-4-methylpentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 103862368

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-[(1S)-1-thiophen-2-ylethyl]prop-2-enamide?
The IUPAC name of (E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-[(1S)-1-thiophen-2-ylethyl]prop-2-enamide (CID 39435422) is (E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-[(1S)-1-thiophen-2-ylethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-[(1S)-1-thiophen-2-ylethyl]prop-2-enamide?
The canonical SMILES for (E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-[(1S)-1-thiophen-2-ylethyl]prop-2-enamide is C[C@H](NC(=O)/C=C/c1ccc([C@@H]2C[C@H]2C)o1)c1cccs1.
What is the InChIKey of (E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-[(1S)-1-thiophen-2-ylethyl]prop-2-enamide?
The InChIKey is LJGFIOPKGDDHEI-UHOFYVGMSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-11-10-14(11)15-7-5-13(20-15)6-8-17(19)18-12(2)16-4-3-9-21-16/h3-9,11-12,14H,10H2,1-2H3,(H,18,19)/b8-6+/t11-,12+,14-/m1/s1.
What are the key properties of (E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-[(1S)-1-thiophen-2-ylethyl]prop-2-enamide?
(E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-[(1S)-1-thiophen-2-ylethyl]prop-2-enamide has a molecular weight of 301.41 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-[(1S)-1-thiophen-2-ylethyl]prop-2-enamide is sourced from PubChem (CID 39435422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).