N-[3-[[(2S)-2-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenoxy]ethyl]sulfamoyl]phenyl]acetamide

C21H24F3N3O4S — CID 67775535

About N-[3-[[(2S)-2-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenoxy]ethyl]sulfamoyl]phenyl]acetamide

N-[3-[[(2S)-2-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenoxy]ethyl]sulfamoyl]phenyl]acetamide (PubChem CID 67775535) has the molecular formula C21H24F3N3O4S and a molecular weight of 471.50 g/mol. Its IUPAC name is N-[3-[[(2S)-2-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenoxy]ethyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[3-[[(2S)-2-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenoxy]ethyl]sulfamoyl]phenyl]acetamide
• PubChem CID: 67775535
• Molecular Formula: C21H24F3N3O4S
• Molecular Weight: 471.50 g/mol
• Exact Mass: 471.14
• IUPAC Name: N-[3-[[(2S)-2-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenoxy]ethyl]sulfamoyl]phenyl]acetamide
• SMILES: CC(=O)Nc1cccc(S(=O)(=O)NC[C@@H](Oc2ccc(C(F)(F)F)cc2)C2CCNC2)c1
• InChI: InChI=1S/C21H24F3N3O4S/c1-14(28)27-17-3-2-4-19(11-17)32(29,30)26-13-20(15-9-10-25-12-15)31-18-7-5-16(6-8-18)21(22,23)24/h2-8,11,15,20,25-26H,9-10,12-13H2,1H3,(H,27,28)/t15?,20-/m1/s1
• InChIKey: VNTPVIKANFIPBY-YQYDADCPSA-N
• XLogP: 3.00
• TPSA: 96.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.50
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2S)-2-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenoxy]ethyl]sulfamoyl]phenyl]acetamide?

The IUPAC name of N-[3-[[(2S)-2-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenoxy]ethyl]sulfamoyl]phenyl]acetamide (CID 67775535) is N-[3-[[(2S)-2-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenoxy]ethyl]sulfamoyl]phenyl]acetamide.

What is the SMILES notation for N-[3-[[(2S)-2-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenoxy]ethyl]sulfamoyl]phenyl]acetamide?

The canonical SMILES for N-[3-[[(2S)-2-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenoxy]ethyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1cccc(S(=O)(=O)NC[C@@H](Oc2ccc(C(F)(F)F)cc2)C2CCNC2)c1.

What is the InChIKey of N-[3-[[(2S)-2-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenoxy]ethyl]sulfamoyl]phenyl]acetamide?

The InChIKey is VNTPVIKANFIPBY-YQYDADCPSA-N. The full InChI is InChI=1S/C21H24F3N3O4S/c1-14(28)27-17-3-2-4-19(11-17)32(29,30)26-13-20(15-9-10-25-12-15)31-18-7-5-16(6-8-18)21(22,23)24/h2-8,11,15,20,25-26H,9-10,12-13H2,1H3,(H,27,28)/t15?,20-/m1/s1.

What are the key properties of N-[3-[[(2S)-2-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenoxy]ethyl]sulfamoyl]phenyl]acetamide?

N-[3-[[(2S)-2-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenoxy]ethyl]sulfamoyl]phenyl]acetamide has a molecular weight of 471.50 g/mol, XLogP of 3.00, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[(2S)-2-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenoxy]ethyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 67775535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).