(E)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide

C22H19FN2OS — CID 98732129

IUPAC(E)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)Nc1ccccc1N1CCc2sccc2C1
InChIInChI=1S/C22H19FN2OS/c23-18-8-5-16(6-9-18)7-10-22(26)24-19-3-1-2-4-20(19)25-13-11-21-17(15-25)12-14-27-21/h1-10,12,14H,11,13,15H2,(H,24,26)/b10-7+
InChIKeyKXEUHDXQXNZCMA-JXMROGBWSA-N
MW378.47 g/mol
LogP5.10
Rot. Bonds4

About (E)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide

(E)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide (PubChem CID 98732129) has the molecular formula C22H19FN2OS and a molecular weight of 378.47 g/mol. Its IUPAC name is (E)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
PubChem CID98732129
Molecular FormulaC22H19FN2OS
Molecular Weight378.47 g/mol
Exact Mass378.12
IUPAC Name(E)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)Nc1ccccc1N1CCc2sccc2C1
InChIInChI=1S/C22H19FN2OS/c23-18-8-5-16(6-9-18)7-10-22(26)24-19-3-1-2-4-20(19)25-13-11-21-17(15-25)12-14-27-21/h1-10,12,14H,11,13,15H2,(H,24,26)/b10-7+
InChIKeyKXEUHDXQXNZCMA-JXMROGBWSA-N
XLogP5.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.47
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(4-fluorophenyl)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-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]prop-2-enamide
CID 55925197
(Z)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]-3-phenylprop-2-enamide
CID 20833523
(E)-N-(2-morpholin-4-ylphenyl)-3-phenylprop-2-enamide
CID 6253583
N-(2-fluorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 882978
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 55663124
(E)-3-(4-fluorophenyl)-N-(2-methylphenyl)prop-2-enamide
CID 875151
N-(2-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 875066
3-(4-fluorophenyl)-N-(2-methylsulfanylphenyl)prop-2-enamide
CID 4798657
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-piperidin-1-ylphenyl)acetamide
CID 60560848
(E)-N-(2-morpholin-4-ylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1291388
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 55762637
2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]acetamide
CID 55762245

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide (CID 98732129) is (E)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide is O=C(/C=C/c1ccc(F)cc1)Nc1ccccc1N1CCc2sccc2C1.
What is the InChIKey of (E)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide?
The InChIKey is KXEUHDXQXNZCMA-JXMROGBWSA-N. The full InChI is InChI=1S/C22H19FN2OS/c23-18-8-5-16(6-9-18)7-10-22(26)24-19-3-1-2-4-20(19)25-13-11-21-17(15-25)12-14-27-21/h1-10,12,14H,11,13,15H2,(H,24,26)/b10-7+.
What are the key properties of (E)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide?
(E)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide has a molecular weight of 378.47 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 98732129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).