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

C32H29FN2O2S — CID 3907822

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

N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2,2-diphenyl-N-prop-2-enylacetamide (PubChem CID 3907822) has the molecular formula C32H29FN2O2S and a molecular weight of 524.66 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2,2-diphenyl-N-prop-2-enylacetamide.

Molecular Properties

• Compound Name: N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2,2-diphenyl-N-prop-2-enylacetamide
• PubChem CID: 3907822
• Molecular Formula: C32H29FN2O2S
• Molecular Weight: 524.66 g/mol
• Exact Mass: 524.19
• IUPAC Name: N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2,2-diphenyl-N-prop-2-enylacetamide
• SMILES: C=CCN(CC(=O)N1CCc2sccc2C1c1ccc(F)cc1)C(=O)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C32H29FN2O2S/c1-2-19-34(32(37)30(23-9-5-3-6-10-23)24-11-7-4-8-12-24)22-29(36)35-20-17-28-27(18-21-38-28)31(35)25-13-15-26(33)16-14-25/h2-16,18,21,30-31H,1,17,19-20,22H2
• InChIKey: MTRGCYXGFACTEE-UHFFFAOYSA-N
• XLogP: 6.21
• TPSA: 40.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.66
LogP ≤ 5	6.21
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-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2,2-diphenyl-N-prop-2-enylacetamide?

The IUPAC name of N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2,2-diphenyl-N-prop-2-enylacetamide (CID 3907822) is N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2,2-diphenyl-N-prop-2-enylacetamide.

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

The canonical SMILES for N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2,2-diphenyl-N-prop-2-enylacetamide is C=CCN(CC(=O)N1CCc2sccc2C1c1ccc(F)cc1)C(=O)C(c1ccccc1)c1ccccc1.

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

The InChIKey is MTRGCYXGFACTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29FN2O2S/c1-2-19-34(32(37)30(23-9-5-3-6-10-23)24-11-7-4-8-12-24)22-29(36)35-20-17-28-27(18-21-38-28)31(35)25-13-15-26(33)16-14-25/h2-16,18,21,30-31H,1,17,19-20,22H2.

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

N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2,2-diphenyl-N-prop-2-enylacetamide has a molecular weight of 524.66 g/mol, XLogP of 6.21, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2,2-diphenyl-N-prop-2-enylacetamide is sourced from PubChem (CID 3907822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).