2-[bis(4-fluorophenyl)methylsulfanyl]-N-(1-propylpiperidin-4-yl)acetamide

C23H28F2N2OS — CID 9292936

IUPAC2-[bis(4-fluorophenyl)methylsulfanyl]-N-(1-propylpiperidin-4-yl)acetamide
SMILESCCCN1CCC(NC(=O)CSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H28F2N2OS/c1-2-13-27-14-11-21(12-15-27)26-22(28)16-29-23(17-3-7-19(24)8-4-17)18-5-9-20(25)10-6-18/h3-10,21,23H,2,11-16H2,1H3,(H,26,28)
InChIKeyXNKFTEFSZPGBIW-UHFFFAOYSA-N
MW418.55 g/mol
LogP4.78
Rot. Bonds8

About 2-[bis(4-fluorophenyl)methylsulfanyl]-N-(1-propylpiperidin-4-yl)acetamide

2-[bis(4-fluorophenyl)methylsulfanyl]-N-(1-propylpiperidin-4-yl)acetamide (PubChem CID 9292936) has the molecular formula C23H28F2N2OS and a molecular weight of 418.55 g/mol. Its IUPAC name is 2-[bis(4-fluorophenyl)methylsulfanyl]-N-(1-propylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[bis(4-fluorophenyl)methylsulfanyl]-N-(1-propylpiperidin-4-yl)acetamide
PubChem CID9292936
Molecular FormulaC23H28F2N2OS
Molecular Weight418.55 g/mol
Exact Mass418.19
IUPAC Name2-[bis(4-fluorophenyl)methylsulfanyl]-N-(1-propylpiperidin-4-yl)acetamide
SMILESCCCN1CCC(NC(=O)CSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H28F2N2OS/c1-2-13-27-14-11-21(12-15-27)26-22(28)16-29-23(17-3-7-19(24)8-4-17)18-5-9-20(25)10-6-18/h3-10,21,23H,2,11-16H2,1H3,(H,26,28)
InChIKeyXNKFTEFSZPGBIW-UHFFFAOYSA-N
XLogP4.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.55
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-fluorophenyl)methylsulfanyl]-N-(1-propylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[bis(4-fluorophenyl)methylsulfanyl]-N-(1-propylpiperidin-4-yl)acetamide (CID 9292936) is 2-[bis(4-fluorophenyl)methylsulfanyl]-N-(1-propylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[bis(4-fluorophenyl)methylsulfanyl]-N-(1-propylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[bis(4-fluorophenyl)methylsulfanyl]-N-(1-propylpiperidin-4-yl)acetamide is CCCN1CCC(NC(=O)CSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[bis(4-fluorophenyl)methylsulfanyl]-N-(1-propylpiperidin-4-yl)acetamide?
The InChIKey is XNKFTEFSZPGBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N2OS/c1-2-13-27-14-11-21(12-15-27)26-22(28)16-29-23(17-3-7-19(24)8-4-17)18-5-9-20(25)10-6-18/h3-10,21,23H,2,11-16H2,1H3,(H,26,28).
What are the key properties of 2-[bis(4-fluorophenyl)methylsulfanyl]-N-(1-propylpiperidin-4-yl)acetamide?
2-[bis(4-fluorophenyl)methylsulfanyl]-N-(1-propylpiperidin-4-yl)acetamide has a molecular weight of 418.55 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-fluorophenyl)methylsulfanyl]-N-(1-propylpiperidin-4-yl)acetamide is sourced from PubChem (CID 9292936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).