4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide

C20H31N3O5S — CID 11932592

About 4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide

4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide (PubChem CID 11932592) has the molecular formula C20H31N3O5S and a molecular weight of 425.55 g/mol. Its IUPAC name is 4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
• PubChem CID: 11932592
• Molecular Formula: C20H31N3O5S
• Molecular Weight: 425.55 g/mol
• Exact Mass: 425.20
• IUPAC Name: 4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
• SMILES: CCCNC(=O)[C@@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC[C@@H]2C)c1
• InChI: InChI=1S/C20H31N3O5S/c1-5-11-21-19(24)15(3)22-20(25)16-9-10-17(28-4)18(13-16)29(26,27)23-12-7-6-8-14(23)2/h9-10,13-15H,5-8,11-12H2,1-4H3,(H,21,24)(H,22,25)/t14-,15+/m0/s1
• InChIKey: FTAOSOWRRLSYNY-LSDHHAIUSA-N
• XLogP: 1.90
• TPSA: 104.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.55
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide?

The IUPAC name of 4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide (CID 11932592) is 4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide.

What is the SMILES notation for 4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide?

The canonical SMILES for 4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide is CCCNC(=O)[C@@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC[C@@H]2C)c1.

What is the InChIKey of 4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide?

The InChIKey is FTAOSOWRRLSYNY-LSDHHAIUSA-N. The full InChI is InChI=1S/C20H31N3O5S/c1-5-11-21-19(24)15(3)22-20(25)16-9-10-17(28-4)18(13-16)29(26,27)23-12-7-6-8-14(23)2/h9-10,13-15H,5-8,11-12H2,1-4H3,(H,21,24)(H,22,25)/t14-,15+/m0/s1.

What are the key properties of 4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide?

4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide has a molecular weight of 425.55 g/mol, XLogP of 1.90, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide is sourced from PubChem (CID 11932592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).