N-[2-[3-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-thiophen-2-ylacetamide

C23H21F2N3O2S — CID 42868753

About N-[2-[3-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-thiophen-2-ylacetamide

N-[2-[3-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-thiophen-2-ylacetamide (PubChem CID 42868753) has the molecular formula C23H21F2N3O2S and a molecular weight of 441.50 g/mol. Its IUPAC name is N-[2-[3-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

• Compound Name: N-[2-[3-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-thiophen-2-ylacetamide
• PubChem CID: 42868753
• Molecular Formula: C23H21F2N3O2S
• Molecular Weight: 441.50 g/mol
• Exact Mass: 441.13
• IUPAC Name: N-[2-[3-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-thiophen-2-ylacetamide
• SMILES: O=C(Cc1cccs1)Nc1ccccc1N1CCCN(Cc2cc(F)cc(F)c2)C1=O
• InChI: InChI=1S/C23H21F2N3O2S/c24-17-11-16(12-18(25)13-17)15-27-8-4-9-28(23(27)30)21-7-2-1-6-20(21)26-22(29)14-19-5-3-10-31-19/h1-3,5-7,10-13H,4,8-9,14-15H2,(H,26,29)
• InChIKey: ZNLSNYGQUCJNCN-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.50
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-thiophen-2-ylacetamide?

The IUPAC name of N-[2-[3-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-thiophen-2-ylacetamide (CID 42868753) is N-[2-[3-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-thiophen-2-ylacetamide.

What is the SMILES notation for N-[2-[3-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-thiophen-2-ylacetamide?

The canonical SMILES for N-[2-[3-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1ccccc1N1CCCN(Cc2cc(F)cc(F)c2)C1=O.

What is the InChIKey of N-[2-[3-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-thiophen-2-ylacetamide?

The InChIKey is ZNLSNYGQUCJNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N3O2S/c24-17-11-16(12-18(25)13-17)15-27-8-4-9-28(23(27)30)21-7-2-1-6-20(21)26-22(29)14-19-5-3-10-31-19/h1-3,5-7,10-13H,4,8-9,14-15H2,(H,26,29).

What are the key properties of N-[2-[3-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-thiophen-2-ylacetamide?

N-[2-[3-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-thiophen-2-ylacetamide has a molecular weight of 441.50 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 42868753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).