2-methyl-N-[(2R)-3-methyl-1-oxo-1-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]butan-2-yl]benzamide

C21H24N4O2S — CID 9362332

About 2-methyl-N-[(2R)-3-methyl-1-oxo-1-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]butan-2-yl]benzamide

2-methyl-N-[(2R)-3-methyl-1-oxo-1-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]butan-2-yl]benzamide (PubChem CID 9362332) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is 2-methyl-N-[(2R)-3-methyl-1-oxo-1-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]butan-2-yl]benzamide.

Molecular Properties

• Compound Name: 2-methyl-N-[(2R)-3-methyl-1-oxo-1-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]butan-2-yl]benzamide
• PubChem CID: 9362332
• Molecular Formula: C21H24N4O2S
• Molecular Weight: 396.52 g/mol
• Exact Mass: 396.16
• IUPAC Name: 2-methyl-N-[(2R)-3-methyl-1-oxo-1-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]butan-2-yl]benzamide
• SMILES: Cc1ccccc1C(=O)N[C@@H](C(=O)Nc1ccnn1Cc1cccs1)C(C)C
• InChI: InChI=1S/C21H24N4O2S/c1-14(2)19(24-20(26)17-9-5-4-7-15(17)3)21(27)23-18-10-11-22-25(18)13-16-8-6-12-28-16/h4-12,14,19H,13H2,1-3H3,(H,23,27)(H,24,26)/t19-/m1/s1
• InChIKey: VWBHBDLOOVMKRQ-LJQANCHMSA-N
• XLogP: 3.69
• TPSA: 76.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.52
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2R)-3-methyl-1-oxo-1-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]butan-2-yl]benzamide?

The IUPAC name of 2-methyl-N-[(2R)-3-methyl-1-oxo-1-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]butan-2-yl]benzamide (CID 9362332) is 2-methyl-N-[(2R)-3-methyl-1-oxo-1-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]butan-2-yl]benzamide.

What is the SMILES notation for 2-methyl-N-[(2R)-3-methyl-1-oxo-1-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]butan-2-yl]benzamide?

The canonical SMILES for 2-methyl-N-[(2R)-3-methyl-1-oxo-1-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]butan-2-yl]benzamide is Cc1ccccc1C(=O)N[C@@H](C(=O)Nc1ccnn1Cc1cccs1)C(C)C.

What is the InChIKey of 2-methyl-N-[(2R)-3-methyl-1-oxo-1-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]butan-2-yl]benzamide?

The InChIKey is VWBHBDLOOVMKRQ-LJQANCHMSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-14(2)19(24-20(26)17-9-5-4-7-15(17)3)21(27)23-18-10-11-22-25(18)13-16-8-6-12-28-16/h4-12,14,19H,13H2,1-3H3,(H,23,27)(H,24,26)/t19-/m1/s1.

What are the key properties of 2-methyl-N-[(2R)-3-methyl-1-oxo-1-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]butan-2-yl]benzamide?

2-methyl-N-[(2R)-3-methyl-1-oxo-1-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]butan-2-yl]benzamide has a molecular weight of 396.52 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[(2R)-3-methyl-1-oxo-1-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]butan-2-yl]benzamide is sourced from PubChem (CID 9362332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).