2,2-dimethyl-N-[4-methyl-5-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl]thiophen-2-yl]propanamide

C25H35N3O5S — CID 33233962

About 2,2-dimethyl-N-[4-methyl-5-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl]thiophen-2-yl]propanamide

2,2-dimethyl-N-[4-methyl-5-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl]thiophen-2-yl]propanamide (PubChem CID 33233962) has the molecular formula C25H35N3O5S and a molecular weight of 489.64 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-methyl-5-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl]thiophen-2-yl]propanamide.

Molecular Properties

• Compound Name: 2,2-dimethyl-N-[4-methyl-5-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl]thiophen-2-yl]propanamide
• PubChem CID: 33233962
• Molecular Formula: C25H35N3O5S
• Molecular Weight: 489.64 g/mol
• Exact Mass: 489.23
• IUPAC Name: 2,2-dimethyl-N-[4-methyl-5-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl]thiophen-2-yl]propanamide
• SMILES: COc1ccc(CN2CCN(C(=O)c3sc(NC(=O)C(C)(C)C)cc3C)CC2)c(OC)c1OC
• InChI: InChI=1S/C25H35N3O5S/c1-16-14-19(26-24(30)25(2,3)4)34-22(16)23(29)28-12-10-27(11-13-28)15-17-8-9-18(31-5)21(33-7)20(17)32-6/h8-9,14H,10-13,15H2,1-7H3,(H,26,30)
• InChIKey: JMLGRZSJCYZTJE-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 80.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.64
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-methyl-5-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl]thiophen-2-yl]propanamide?

The IUPAC name of 2,2-dimethyl-N-[4-methyl-5-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl]thiophen-2-yl]propanamide (CID 33233962) is 2,2-dimethyl-N-[4-methyl-5-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl]thiophen-2-yl]propanamide.

What is the SMILES notation for 2,2-dimethyl-N-[4-methyl-5-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl]thiophen-2-yl]propanamide?

The canonical SMILES for 2,2-dimethyl-N-[4-methyl-5-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl]thiophen-2-yl]propanamide is COc1ccc(CN2CCN(C(=O)c3sc(NC(=O)C(C)(C)C)cc3C)CC2)c(OC)c1OC.

What is the InChIKey of 2,2-dimethyl-N-[4-methyl-5-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl]thiophen-2-yl]propanamide?

The InChIKey is JMLGRZSJCYZTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O5S/c1-16-14-19(26-24(30)25(2,3)4)34-22(16)23(29)28-12-10-27(11-13-28)15-17-8-9-18(31-5)21(33-7)20(17)32-6/h8-9,14H,10-13,15H2,1-7H3,(H,26,30).

What are the key properties of 2,2-dimethyl-N-[4-methyl-5-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl]thiophen-2-yl]propanamide?

2,2-dimethyl-N-[4-methyl-5-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl]thiophen-2-yl]propanamide has a molecular weight of 489.64 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-N-[4-methyl-5-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl]thiophen-2-yl]propanamide is sourced from PubChem (CID 33233962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).