2-(2,4-difluorophenyl)sulfanyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide

C16H20F2N2OS — CID 557619

IUPAC2-(2,4-difluorophenyl)sulfanyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide
SMILESCN1C2CCC1CC(NC(=O)CSc1ccc(F)cc1F)C2
InChIInChI=1S/C16H20F2N2OS/c1-20-12-3-4-13(20)8-11(7-12)19-16(21)9-22-15-5-2-10(17)6-14(15)18/h2,5-6,11-13H,3-4,7-9H2,1H3,(H,19,21)
InChIKeyNVVICTXMFUMHQZ-UHFFFAOYSA-N
MW326.41 g/mol
LogP2.80
Rot. Bonds4

About 2-(2,4-difluorophenyl)sulfanyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide

2-(2,4-difluorophenyl)sulfanyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide (PubChem CID 557619) has the molecular formula C16H20F2N2OS and a molecular weight of 326.41 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)sulfanyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)sulfanyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide
PubChem CID557619
Molecular FormulaC16H20F2N2OS
Molecular Weight326.41 g/mol
Exact Mass326.13
IUPAC Name2-(2,4-difluorophenyl)sulfanyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide
SMILESCN1C2CCC1CC(NC(=O)CSc1ccc(F)cc1F)C2
InChIInChI=1S/C16H20F2N2OS/c1-20-12-3-4-13(20)8-11(7-12)19-16(21)9-22-15-5-2-10(17)6-14(15)18/h2,5-6,11-13H,3-4,7-9H2,1H3,(H,19,21)
InChIKeyNVVICTXMFUMHQZ-UHFFFAOYSA-N
XLogP2.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,4-difluorophenyl)sulfanyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide?
The IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide (CID 557619) is 2-(2,4-difluorophenyl)sulfanyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)sulfanyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide?
The canonical SMILES for 2-(2,4-difluorophenyl)sulfanyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide is CN1C2CCC1CC(NC(=O)CSc1ccc(F)cc1F)C2.
What is the InChIKey of 2-(2,4-difluorophenyl)sulfanyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide?
The InChIKey is NVVICTXMFUMHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2OS/c1-20-12-3-4-13(20)8-11(7-12)19-16(21)9-22-15-5-2-10(17)6-14(15)18/h2,5-6,11-13H,3-4,7-9H2,1H3,(H,19,21).
What are the key properties of 2-(2,4-difluorophenyl)sulfanyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide?
2-(2,4-difluorophenyl)sulfanyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide has a molecular weight of 326.41 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)sulfanyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide is sourced from PubChem (CID 557619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).