2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide

C16H25N3O3S — CID 46986307

About 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide

2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide (PubChem CID 46986307) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
• PubChem CID: 46986307
• Molecular Formula: C16H25N3O3S
• Molecular Weight: 339.46 g/mol
• Exact Mass: 339.16
• IUPAC Name: 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
• SMILES: Cc1nn(C)c(C)c1CN(C(=O)CC1C=CS(=O)(=O)C1)C(C)C
• InChI: InChI=1S/C16H25N3O3S/c1-11(2)19(9-15-12(3)17-18(5)13(15)4)16(20)8-14-6-7-23(21,22)10-14/h6-7,11,14H,8-10H2,1-5H3
• InChIKey: MFGWDRIPWSGNDK-UHFFFAOYSA-N
• XLogP: 1.72
• TPSA: 72.27 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.46
LogP ≤ 5	1.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide?

The IUPAC name of 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide (CID 46986307) is 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide.

What is the SMILES notation for 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide?

The canonical SMILES for 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide is Cc1nn(C)c(C)c1CN(C(=O)CC1C=CS(=O)(=O)C1)C(C)C.

What is the InChIKey of 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide?

The InChIKey is MFGWDRIPWSGNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-11(2)19(9-15-12(3)17-18(5)13(15)4)16(20)8-14-6-7-23(21,22)10-14/h6-7,11,14H,8-10H2,1-5H3.

What are the key properties of 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide?

2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide has a molecular weight of 339.46 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 46986307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).