N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide

C21H27FN2O5S — CID 51941799

About N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide

N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide (PubChem CID 51941799) has the molecular formula C21H27FN2O5S and a molecular weight of 438.52 g/mol. Its IUPAC name is N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide.

Molecular Properties

• Compound Name: N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
• PubChem CID: 51941799
• Molecular Formula: C21H27FN2O5S
• Molecular Weight: 438.52 g/mol
• Exact Mass: 438.16
• IUPAC Name: N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
• SMILES: C[C@@H]1CN(S(=O)(=O)CCNC(=O)CCc2ccc(-c3ccccc3F)o2)C[C@@H](C)O1
• InChI: InChI=1S/C21H27FN2O5S/c1-15-13-24(14-16(2)28-15)30(26,27)12-11-23-21(25)10-8-17-7-9-20(29-17)18-5-3-4-6-19(18)22/h3-7,9,15-16H,8,10-14H2,1-2H3,(H,23,25)/t15-,16-/m1/s1
• InChIKey: FQJFHCLXHLFVGR-HZPDHXFCSA-N
• XLogP: 2.57
• TPSA: 88.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.52
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide?

The IUPAC name of N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide (CID 51941799) is N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide.

What is the SMILES notation for N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide?

The canonical SMILES for N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide is C[C@@H]1CN(S(=O)(=O)CCNC(=O)CCc2ccc(-c3ccccc3F)o2)C[C@@H](C)O1.

What is the InChIKey of N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide?

The InChIKey is FQJFHCLXHLFVGR-HZPDHXFCSA-N. The full InChI is InChI=1S/C21H27FN2O5S/c1-15-13-24(14-16(2)28-15)30(26,27)12-11-23-21(25)10-8-17-7-9-20(29-17)18-5-3-4-6-19(18)22/h3-7,9,15-16H,8,10-14H2,1-2H3,(H,23,25)/t15-,16-/m1/s1.

What are the key properties of N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide?

N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide has a molecular weight of 438.52 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide is sourced from PubChem (CID 51941799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).