N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-2-methyl-2-thiophen-2-ylpropanamide

C29H30N2O4S — CID 70804339

About N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-2-methyl-2-thiophen-2-ylpropanamide

N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-2-methyl-2-thiophen-2-ylpropanamide (PubChem CID 70804339) has the molecular formula C29H30N2O4S and a molecular weight of 502.64 g/mol. Its IUPAC name is N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-2-methyl-2-thiophen-2-ylpropanamide.

Molecular Properties

• Compound Name: N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-2-methyl-2-thiophen-2-ylpropanamide
• PubChem CID: 70804339
• Molecular Formula: C29H30N2O4S
• Molecular Weight: 502.64 g/mol
• Exact Mass: 502.19
• IUPAC Name: N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-2-methyl-2-thiophen-2-ylpropanamide
• SMILES: COc1ccc(CCOc2cccc(-c3cccc(NC(=O)C(C)(C)c4cccs4)c3)n2)cc1OC
• InChI: InChI=1S/C29H30N2O4S/c1-29(2,26-11-7-17-36-26)28(32)30-22-9-5-8-21(19-22)23-10-6-12-27(31-23)35-16-15-20-13-14-24(33-3)25(18-20)34-4/h5-14,17-19H,15-16H2,1-4H3,(H,30,32)
• InChIKey: NMQHLTHUBQBQMC-UHFFFAOYSA-N
• XLogP: 6.37
• TPSA: 69.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.64
LogP ≤ 5	6.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-2-methyl-2-thiophen-2-ylpropanamide?

The IUPAC name of N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-2-methyl-2-thiophen-2-ylpropanamide (CID 70804339) is N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-2-methyl-2-thiophen-2-ylpropanamide.

What is the SMILES notation for N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-2-methyl-2-thiophen-2-ylpropanamide?

The canonical SMILES for N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-2-methyl-2-thiophen-2-ylpropanamide is COc1ccc(CCOc2cccc(-c3cccc(NC(=O)C(C)(C)c4cccs4)c3)n2)cc1OC.

What is the InChIKey of N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-2-methyl-2-thiophen-2-ylpropanamide?

The InChIKey is NMQHLTHUBQBQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O4S/c1-29(2,26-11-7-17-36-26)28(32)30-22-9-5-8-21(19-22)23-10-6-12-27(31-23)35-16-15-20-13-14-24(33-3)25(18-20)34-4/h5-14,17-19H,15-16H2,1-4H3,(H,30,32).

What are the key properties of N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-2-methyl-2-thiophen-2-ylpropanamide?

N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-2-methyl-2-thiophen-2-ylpropanamide has a molecular weight of 502.64 g/mol, XLogP of 6.37, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-2-methyl-2-thiophen-2-ylpropanamide is sourced from PubChem (CID 70804339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).