(E)-2-cyano-3-(3-methylthiophen-2-yl)-N-(2-morpholin-4-ylethyl)prop-2-enamide

C15H19N3O2S — CID 759929

IUPAC(E)-2-cyano-3-(3-methylthiophen-2-yl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
SMILESCc1ccsc1/C=C(\C#N)C(=O)NCCN1CCOCC1
InChIInChI=1S/C15H19N3O2S/c1-12-2-9-21-14(12)10-13(11-16)15(19)17-3-4-18-5-7-20-8-6-18/h2,9-10H,3-8H2,1H3,(H,17,19)/b13-10+
InChIKeyCLPQIRPPGLXNOE-JLHYYAGUSA-N
MW305.40 g/mol
LogP1.41
Rot. Bonds5

About (E)-2-cyano-3-(3-methylthiophen-2-yl)-N-(2-morpholin-4-ylethyl)prop-2-enamide

(E)-2-cyano-3-(3-methylthiophen-2-yl)-N-(2-morpholin-4-ylethyl)prop-2-enamide (PubChem CID 759929) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is (E)-2-cyano-3-(3-methylthiophen-2-yl)-N-(2-morpholin-4-ylethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(3-methylthiophen-2-yl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
PubChem CID759929
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name(E)-2-cyano-3-(3-methylthiophen-2-yl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
SMILESCc1ccsc1/C=C(\C#N)C(=O)NCCN1CCOCC1
InChIInChI=1S/C15H19N3O2S/c1-12-2-9-21-14(12)10-13(11-16)15(19)17-3-4-18-5-7-20-8-6-18/h2,9-10H,3-8H2,1H3,(H,17,19)/b13-10+
InChIKeyCLPQIRPPGLXNOE-JLHYYAGUSA-N
XLogP1.41
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-(3-methylthiophen-2-yl)-N-(2-morpholin-4-ylethyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(3-methylthiophen-2-yl)-N-(2-morpholin-4-ylethyl)prop-2-enamide (CID 759929) is (E)-2-cyano-3-(3-methylthiophen-2-yl)-N-(2-morpholin-4-ylethyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(3-methylthiophen-2-yl)-N-(2-morpholin-4-ylethyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(3-methylthiophen-2-yl)-N-(2-morpholin-4-ylethyl)prop-2-enamide is Cc1ccsc1/C=C(\C#N)C(=O)NCCN1CCOCC1.
What is the InChIKey of (E)-2-cyano-3-(3-methylthiophen-2-yl)-N-(2-morpholin-4-ylethyl)prop-2-enamide?
The InChIKey is CLPQIRPPGLXNOE-JLHYYAGUSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-12-2-9-21-14(12)10-13(11-16)15(19)17-3-4-18-5-7-20-8-6-18/h2,9-10H,3-8H2,1H3,(H,17,19)/b13-10+.
What are the key properties of (E)-2-cyano-3-(3-methylthiophen-2-yl)-N-(2-morpholin-4-ylethyl)prop-2-enamide?
(E)-2-cyano-3-(3-methylthiophen-2-yl)-N-(2-morpholin-4-ylethyl)prop-2-enamide has a molecular weight of 305.40 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(3-methylthiophen-2-yl)-N-(2-morpholin-4-ylethyl)prop-2-enamide is sourced from PubChem (CID 759929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).