4-(3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide

C22H26N4O2S — CID 31404253

About 4-(3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide

4-(3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide (PubChem CID 31404253) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide.

Molecular Properties

• Compound Name: 4-(3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
• PubChem CID: 31404253
• Molecular Formula: C22H26N4O2S
• Molecular Weight: 410.54 g/mol
• Exact Mass: 410.18
• IUPAC Name: 4-(3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
• SMILES: Cc1cc(C)n(-c2ccc(C(=O)NC[C@@H](c3cccs3)N3CCOCC3)cc2)n1
• InChI: InChI=1S/C22H26N4O2S/c1-16-14-17(2)26(24-16)19-7-5-18(6-8-19)22(27)23-15-20(21-4-3-13-29-21)25-9-11-28-12-10-25/h3-8,13-14,20H,9-12,15H2,1-2H3,(H,23,27)/t20-/m0/s1
• InChIKey: DFVWQGPBILGMEY-FQEVSTJZSA-N
• XLogP: 3.35
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.54
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide?

The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide (CID 31404253) is 4-(3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide.

What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide?

The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide is Cc1cc(C)n(-c2ccc(C(=O)NC[C@@H](c3cccs3)N3CCOCC3)cc2)n1.

What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide?

The InChIKey is DFVWQGPBILGMEY-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-16-14-17(2)26(24-16)19-7-5-18(6-8-19)22(27)23-15-20(21-4-3-13-29-21)25-9-11-28-12-10-25/h3-8,13-14,20H,9-12,15H2,1-2H3,(H,23,27)/t20-/m0/s1.

What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide?

4-(3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide has a molecular weight of 410.54 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide is sourced from PubChem (CID 31404253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).