4-[(3,5-dimethoxyphenyl)methyl]-N-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide

C23H21FN2O3S — CID 46052185

About 4-[(3,5-dimethoxyphenyl)methyl]-N-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide

4-[(3,5-dimethoxyphenyl)methyl]-N-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 46052185) has the molecular formula C23H21FN2O3S and a molecular weight of 424.50 g/mol. Its IUPAC name is 4-[(3,5-dimethoxyphenyl)methyl]-N-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

• Compound Name: 4-[(3,5-dimethoxyphenyl)methyl]-N-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
• PubChem CID: 46052185
• Molecular Formula: C23H21FN2O3S
• Molecular Weight: 424.50 g/mol
• Exact Mass: 424.13
• IUPAC Name: 4-[(3,5-dimethoxyphenyl)methyl]-N-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
• SMILES: COc1cc(Cn2c(C(=O)NCc3cccc(F)c3)cc3sccc32)cc(OC)c1
• InChI: InChI=1S/C23H21FN2O3S/c1-28-18-9-16(10-19(11-18)29-2)14-26-20-6-7-30-22(20)12-21(26)23(27)25-13-15-4-3-5-17(24)8-15/h3-12H,13-14H2,1-2H3,(H,25,27)
• InChIKey: INCZCUCKOCQNAF-UHFFFAOYSA-N
• XLogP: 4.84
• TPSA: 52.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.50
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethoxyphenyl)methyl]-N-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide?

The IUPAC name of 4-[(3,5-dimethoxyphenyl)methyl]-N-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide (CID 46052185) is 4-[(3,5-dimethoxyphenyl)methyl]-N-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide.

What is the SMILES notation for 4-[(3,5-dimethoxyphenyl)methyl]-N-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide?

The canonical SMILES for 4-[(3,5-dimethoxyphenyl)methyl]-N-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide is COc1cc(Cn2c(C(=O)NCc3cccc(F)c3)cc3sccc32)cc(OC)c1.

What is the InChIKey of 4-[(3,5-dimethoxyphenyl)methyl]-N-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide?

The InChIKey is INCZCUCKOCQNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O3S/c1-28-18-9-16(10-19(11-18)29-2)14-26-20-6-7-30-22(20)12-21(26)23(27)25-13-15-4-3-5-17(24)8-15/h3-12H,13-14H2,1-2H3,(H,25,27).

What are the key properties of 4-[(3,5-dimethoxyphenyl)methyl]-N-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide?

4-[(3,5-dimethoxyphenyl)methyl]-N-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3,5-dimethoxyphenyl)methyl]-N-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 46052185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).