(E)-N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-3-thiophen-2-ylprop-2-enamide

C17H17N3O2S — CID 71797248

IUPAC(E)-N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-3-thiophen-2-ylprop-2-enamide
SMILESCn1cc(-c2ccco2)nc1CCNC(=O)/C=C/c1cccs1
InChIInChI=1S/C17H17N3O2S/c1-20-12-14(15-5-2-10-22-15)19-16(20)8-9-18-17(21)7-6-13-4-3-11-23-13/h2-7,10-12H,8-9H2,1H3,(H,18,21)/b7-6+
InChIKeyJOGBHEMYYRQXRV-VOTSOKGWSA-N
MW327.41 g/mol
LogP3.11
Rot. Bonds6

About (E)-N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-3-thiophen-2-ylprop-2-enamide

(E)-N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 71797248) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is (E)-N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID71797248
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name(E)-N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-3-thiophen-2-ylprop-2-enamide
SMILESCn1cc(-c2ccco2)nc1CCNC(=O)/C=C/c1cccs1
InChIInChI=1S/C17H17N3O2S/c1-20-12-14(15-5-2-10-22-15)19-16(20)8-9-18-17(21)7-6-13-4-3-11-23-13/h2-7,10-12H,8-9H2,1H3,(H,18,21)/b7-6+
InChIKeyJOGBHEMYYRQXRV-VOTSOKGWSA-N
XLogP3.11
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.11
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-3-thiophen-2-ylprop-2-enamide (CID 71797248) is (E)-N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-3-thiophen-2-ylprop-2-enamide is Cn1cc(-c2ccco2)nc1CCNC(=O)/C=C/c1cccs1.
What is the InChIKey of (E)-N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is JOGBHEMYYRQXRV-VOTSOKGWSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-20-12-14(15-5-2-10-22-15)19-16(20)8-9-18-17(21)7-6-13-4-3-11-23-13/h2-7,10-12H,8-9H2,1H3,(H,18,21)/b7-6+.
What are the key properties of (E)-N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 327.41 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 71797248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).