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

C25H31N5O3S — CID 24665494

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

2,2-dimethyl-N-[4-methyl-5-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]thiophen-2-yl]propanamide (PubChem CID 24665494) has the molecular formula C25H31N5O3S and a molecular weight of 481.62 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-methyl-5-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]thiophen-2-yl]propanamide.

Molecular Properties

• Compound Name: 2,2-dimethyl-N-[4-methyl-5-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]thiophen-2-yl]propanamide
• PubChem CID: 24665494
• Molecular Formula: C25H31N5O3S
• Molecular Weight: 481.62 g/mol
• Exact Mass: 481.21
• IUPAC Name: 2,2-dimethyl-N-[4-methyl-5-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]thiophen-2-yl]propanamide
• SMILES: Cc1ccc(-c2noc(CN3CCN(C(=O)c4sc(NC(=O)C(C)(C)C)cc4C)CC3)n2)cc1
• InChI: InChI=1S/C25H31N5O3S/c1-16-6-8-18(9-7-16)22-26-19(33-28-22)15-29-10-12-30(13-11-29)23(31)21-17(2)14-20(34-21)27-24(32)25(3,4)5/h6-9,14H,10-13,15H2,1-5H3,(H,27,32)
• InChIKey: AOSVNVOMVGTZPV-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 91.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.62
LogP ≤ 5	4.36
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-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]thiophen-2-yl]propanamide?

The IUPAC name of 2,2-dimethyl-N-[4-methyl-5-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]thiophen-2-yl]propanamide (CID 24665494) is 2,2-dimethyl-N-[4-methyl-5-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]thiophen-2-yl]propanamide.

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

The canonical SMILES for 2,2-dimethyl-N-[4-methyl-5-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]thiophen-2-yl]propanamide is Cc1ccc(-c2noc(CN3CCN(C(=O)c4sc(NC(=O)C(C)(C)C)cc4C)CC3)n2)cc1.

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

The InChIKey is AOSVNVOMVGTZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3S/c1-16-6-8-18(9-7-16)22-26-19(33-28-22)15-29-10-12-30(13-11-29)23(31)21-17(2)14-20(34-21)27-24(32)25(3,4)5/h6-9,14H,10-13,15H2,1-5H3,(H,27,32).

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

2,2-dimethyl-N-[4-methyl-5-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]thiophen-2-yl]propanamide has a molecular weight of 481.62 g/mol, XLogP of 4.36, 5 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-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]thiophen-2-yl]propanamide is sourced from PubChem (CID 24665494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).