(E)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]prop-2-enamide

C23H22FN3O2S — CID 46593071

IUPAC(E)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(-c2ccccc2F)s1)NCc1ccnc(N2CCOCC2)c1
InChIInChI=1S/C23H22FN3O2S/c24-20-4-2-1-3-19(20)21-7-5-18(30-21)6-8-23(28)26-16-17-9-10-25-22(15-17)27-11-13-29-14-12-27/h1-10,15H,11-14,16H2,(H,26,28)/b8-6+
InChIKeyKBJSEGZECKQSIG-SOFGYWHQSA-N
MW423.51 g/mol
LogP4.12
Rot. Bonds6

About (E)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]prop-2-enamide

(E)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]prop-2-enamide (PubChem CID 46593071) has the molecular formula C23H22FN3O2S and a molecular weight of 423.51 g/mol. Its IUPAC name is (E)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]prop-2-enamide
PubChem CID46593071
Molecular FormulaC23H22FN3O2S
Molecular Weight423.51 g/mol
Exact Mass423.14
IUPAC Name(E)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(-c2ccccc2F)s1)NCc1ccnc(N2CCOCC2)c1
InChIInChI=1S/C23H22FN3O2S/c24-20-4-2-1-3-19(20)21-7-5-18(30-21)6-8-23(28)26-16-17-9-10-25-22(15-17)27-11-13-29-14-12-27/h1-10,15H,11-14,16H2,(H,26,28)/b8-6+
InChIKeyKBJSEGZECKQSIG-SOFGYWHQSA-N
XLogP4.12
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-[(2-morpholin-4-yl-4-pyridinyl)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)-3-[5-(2-chlorophenyl)thiophen-2-yl]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide
CID 46550015
3-[[[(E)-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoyl]amino]methyl]benzamide
CID 33098154
(E)-3-[5-(4-chlorophenyl)thiophen-2-yl]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide
CID 24672676
(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]prop-2-enamide
CID 33029863
(E)-3-(2-methoxy-5-methylphenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]prop-2-enamide
CID 33030298
(E)-3-(2-fluorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]prop-2-enamide
CID 122318884
N-[2-[[(E)-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoyl]amino]ethyl]-2-methylpropanamide
CID 36801314
(E)-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enamide
CID 98910939
N-[(2-fluorophenyl)methyl]-3-(2-morpholin-4-yl-4-pyridinyl)propanamide
CID 53186022
2-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 32585275
2-(2-methylphenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]acetamide
CID 32586117
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32585359

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]prop-2-enamide (CID 46593071) is (E)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]prop-2-enamide is O=C(/C=C/c1ccc(-c2ccccc2F)s1)NCc1ccnc(N2CCOCC2)c1.
What is the InChIKey of (E)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]prop-2-enamide?
The InChIKey is KBJSEGZECKQSIG-SOFGYWHQSA-N. The full InChI is InChI=1S/C23H22FN3O2S/c24-20-4-2-1-3-19(20)21-7-5-18(30-21)6-8-23(28)26-16-17-9-10-25-22(15-17)27-11-13-29-14-12-27/h1-10,15H,11-14,16H2,(H,26,28)/b8-6+.
What are the key properties of (E)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]prop-2-enamide?
(E)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]prop-2-enamide has a molecular weight of 423.51 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]prop-2-enamide is sourced from PubChem (CID 46593071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).