(E)-2-cyano-3-[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]-N-(thiophen-2-ylmethyl)prop-2-enamide

C26H23N3O3S — CID 1073618

IUPAC(E)-2-cyano-3-[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]-N-(thiophen-2-ylmethyl)prop-2-enamide
SMILESCOc1ccccc1OCCn1cc(/C=C(\C#N)C(=O)NCc2cccs2)c2ccccc21
InChIInChI=1S/C26H23N3O3S/c1-31-24-10-4-5-11-25(24)32-13-12-29-18-20(22-8-2-3-9-23(22)29)15-19(16-27)26(30)28-17-21-7-6-14-33-21/h2-11,14-15,18H,12-13,17H2,1H3,(H,28,30)/b19-15+
InChIKeyLOSWZPVVHSHANR-XDJHFCHBSA-N
MW457.56 g/mol
LogP5.01
Rot. Bonds9

About (E)-2-cyano-3-[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]-N-(thiophen-2-ylmethyl)prop-2-enamide

(E)-2-cyano-3-[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]-N-(thiophen-2-ylmethyl)prop-2-enamide (PubChem CID 1073618) has the molecular formula C26H23N3O3S and a molecular weight of 457.56 g/mol. Its IUPAC name is (E)-2-cyano-3-[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]-N-(thiophen-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]-N-(thiophen-2-ylmethyl)prop-2-enamide
PubChem CID1073618
Molecular FormulaC26H23N3O3S
Molecular Weight457.56 g/mol
Exact Mass457.15
IUPAC Name(E)-2-cyano-3-[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]-N-(thiophen-2-ylmethyl)prop-2-enamide
SMILESCOc1ccccc1OCCn1cc(/C=C(\C#N)C(=O)NCc2cccs2)c2ccccc21
InChIInChI=1S/C26H23N3O3S/c1-31-24-10-4-5-11-25(24)32-13-12-29-18-20(22-8-2-3-9-23(22)29)15-19(16-27)26(30)28-17-21-7-6-14-33-21/h2-11,14-15,18H,12-13,17H2,1H3,(H,28,30)/b19-15+
InChIKeyLOSWZPVVHSHANR-XDJHFCHBSA-N
XLogP5.01
TPSA76.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.56
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (E)-2-cyano-3-[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]-N-(thiophen-2-ylmethyl)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

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]-N-(thiophen-2-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]-N-(thiophen-2-ylmethyl)prop-2-enamide (CID 1073618) is (E)-2-cyano-3-[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]-N-(thiophen-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]-N-(thiophen-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]-N-(thiophen-2-ylmethyl)prop-2-enamide is COc1ccccc1OCCn1cc(/C=C(\C#N)C(=O)NCc2cccs2)c2ccccc21.
What is the InChIKey of (E)-2-cyano-3-[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]-N-(thiophen-2-ylmethyl)prop-2-enamide?
The InChIKey is LOSWZPVVHSHANR-XDJHFCHBSA-N. The full InChI is InChI=1S/C26H23N3O3S/c1-31-24-10-4-5-11-25(24)32-13-12-29-18-20(22-8-2-3-9-23(22)29)15-19(16-27)26(30)28-17-21-7-6-14-33-21/h2-11,14-15,18H,12-13,17H2,1H3,(H,28,30)/b19-15+.
What are the key properties of (E)-2-cyano-3-[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]-N-(thiophen-2-ylmethyl)prop-2-enamide?
(E)-2-cyano-3-[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]-N-(thiophen-2-ylmethyl)prop-2-enamide has a molecular weight of 457.56 g/mol, XLogP of 5.01, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]-N-(thiophen-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 1073618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).