N-[(2R)-4-[[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutan-2-yl]benzamide

C23H31N3O2S — CID 30524266

About N-[(2R)-4-[[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutan-2-yl]benzamide

N-[(2R)-4-[[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutan-2-yl]benzamide (PubChem CID 30524266) has the molecular formula C23H31N3O2S and a molecular weight of 413.59 g/mol. Its IUPAC name is N-[(2R)-4-[[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutan-2-yl]benzamide.

Molecular Properties

• Compound Name: N-[(2R)-4-[[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutan-2-yl]benzamide
• PubChem CID: 30524266
• Molecular Formula: C23H31N3O2S
• Molecular Weight: 413.59 g/mol
• Exact Mass: 413.21
• IUPAC Name: N-[(2R)-4-[[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutan-2-yl]benzamide
• SMILES: CC1CCN([C@H](CNC(=O)C[C@@H](C)NC(=O)c2ccccc2)c2cccs2)CC1
• InChI: InChI=1S/C23H31N3O2S/c1-17-10-12-26(13-11-17)20(21-9-6-14-29-21)16-24-22(27)15-18(2)25-23(28)19-7-4-3-5-8-19/h3-9,14,17-18,20H,10-13,15-16H2,1-2H3,(H,24,27)(H,25,28)/t18-,20-/m1/s1
• InChIKey: ZCKYHIMSUCITGF-UYAOXDASSA-N
• XLogP: 3.85
• TPSA: 61.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.59
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-[[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutan-2-yl]benzamide?

The IUPAC name of N-[(2R)-4-[[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutan-2-yl]benzamide (CID 30524266) is N-[(2R)-4-[[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutan-2-yl]benzamide.

What is the SMILES notation for N-[(2R)-4-[[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutan-2-yl]benzamide?

The canonical SMILES for N-[(2R)-4-[[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutan-2-yl]benzamide is CC1CCN([C@H](CNC(=O)C[C@@H](C)NC(=O)c2ccccc2)c2cccs2)CC1.

What is the InChIKey of N-[(2R)-4-[[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutan-2-yl]benzamide?

The InChIKey is ZCKYHIMSUCITGF-UYAOXDASSA-N. The full InChI is InChI=1S/C23H31N3O2S/c1-17-10-12-26(13-11-17)20(21-9-6-14-29-21)16-24-22(27)15-18(2)25-23(28)19-7-4-3-5-8-19/h3-9,14,17-18,20H,10-13,15-16H2,1-2H3,(H,24,27)(H,25,28)/t18-,20-/m1/s1.

What are the key properties of N-[(2R)-4-[[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutan-2-yl]benzamide?

N-[(2R)-4-[[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutan-2-yl]benzamide has a molecular weight of 413.59 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-4-[[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutan-2-yl]benzamide is sourced from PubChem (CID 30524266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).