N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylpropanamide

C22H26N2O2S — CID 4025948

About N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylpropanamide

N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylpropanamide (PubChem CID 4025948) has the molecular formula C22H26N2O2S and a molecular weight of 382.53 g/mol. Its IUPAC name is N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylpropanamide.

Molecular Properties

• Compound Name: N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylpropanamide
• PubChem CID: 4025948
• Molecular Formula: C22H26N2O2S
• Molecular Weight: 382.53 g/mol
• Exact Mass: 382.17
• IUPAC Name: N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylpropanamide
• SMILES: C=CCN(CC(=O)N1CCc2sccc2C1c1ccc(C)cc1)C(=O)CC
• InChI: InChI=1S/C22H26N2O2S/c1-4-12-23(20(25)5-2)15-21(26)24-13-10-19-18(11-14-27-19)22(24)17-8-6-16(3)7-9-17/h4,6-9,11,14,22H,1,5,10,12-13,15H2,2-3H3
• InChIKey: GZUJWKLKSSENAE-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 40.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.53
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylpropanamide?

The IUPAC name of N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylpropanamide (CID 4025948) is N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylpropanamide.

What is the SMILES notation for N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylpropanamide?

The canonical SMILES for N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylpropanamide is C=CCN(CC(=O)N1CCc2sccc2C1c1ccc(C)cc1)C(=O)CC.

What is the InChIKey of N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylpropanamide?

The InChIKey is GZUJWKLKSSENAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2S/c1-4-12-23(20(25)5-2)15-21(26)24-13-10-19-18(11-14-27-19)22(24)17-8-6-16(3)7-9-17/h4,6-9,11,14,22H,1,5,10,12-13,15H2,2-3H3.

What are the key properties of N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylpropanamide?

N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylpropanamide has a molecular weight of 382.53 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylpropanamide is sourced from PubChem (CID 4025948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).