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

C23H25ClN2O2S — CID 3955856

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

N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylcyclobutanecarboxamide (PubChem CID 3955856) has the molecular formula C23H25ClN2O2S and a molecular weight of 428.99 g/mol. Its IUPAC name is N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylcyclobutanecarboxamide.

Molecular Properties

• Compound Name: N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylcyclobutanecarboxamide
• PubChem CID: 3955856
• Molecular Formula: C23H25ClN2O2S
• Molecular Weight: 428.99 g/mol
• Exact Mass: 428.13
• IUPAC Name: N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylcyclobutanecarboxamide
• SMILES: C=CCN(CC(=O)N1CCc2sccc2C1c1ccc(Cl)cc1)C(=O)C1CCC1
• InChI: InChI=1S/C23H25ClN2O2S/c1-2-12-25(23(28)17-4-3-5-17)15-21(27)26-13-10-20-19(11-14-29-20)22(26)16-6-8-18(24)9-7-16/h2,6-9,11,14,17,22H,1,3-5,10,12-13,15H2
• InChIKey: BZQXIDAPHUIENN-UHFFFAOYSA-N
• XLogP: 4.69
• TPSA: 40.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.99
LogP ≤ 5	4.69
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-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylcyclobutanecarboxamide?

The IUPAC name of N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylcyclobutanecarboxamide (CID 3955856) is N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylcyclobutanecarboxamide.

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

The canonical SMILES for N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylcyclobutanecarboxamide is C=CCN(CC(=O)N1CCc2sccc2C1c1ccc(Cl)cc1)C(=O)C1CCC1.

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

The InChIKey is BZQXIDAPHUIENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O2S/c1-2-12-25(23(28)17-4-3-5-17)15-21(27)26-13-10-20-19(11-14-29-20)22(26)16-6-8-18(24)9-7-16/h2,6-9,11,14,17,22H,1,3-5,10,12-13,15H2.

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

N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylcyclobutanecarboxamide has a molecular weight of 428.99 g/mol, XLogP of 4.69, 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-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylcyclobutanecarboxamide is sourced from PubChem (CID 3955856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).