2-[[1-[2,5-difluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]cyclopropyl]methoxy]acetamide

C24H28F2N2O4S — CID 129114681

About 2-[[1-[2,5-difluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]cyclopropyl]methoxy]acetamide

2-[[1-[2,5-difluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]cyclopropyl]methoxy]acetamide (PubChem CID 129114681) has the molecular formula C24H28F2N2O4S and a molecular weight of 478.56 g/mol. Its IUPAC name is 2-[[1-[2,5-difluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]cyclopropyl]methoxy]acetamide.

Molecular Properties

• Compound Name: 2-[[1-[2,5-difluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]cyclopropyl]methoxy]acetamide
• PubChem CID: 129114681
• Molecular Formula: C24H28F2N2O4S
• Molecular Weight: 478.56 g/mol
• Exact Mass: 478.17
• IUPAC Name: 2-[[1-[2,5-difluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]cyclopropyl]methoxy]acetamide
• SMILES: C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(C2(COCC(N)=O)CC2)cc1F
• InChI: InChI=1S/C24H28F2N2O4S/c1-16-7-8-22(17-5-3-2-4-6-17)33(30,31)28(16)13-18-11-21(26)19(12-20(18)25)24(9-10-24)15-32-14-23(27)29/h2-6,11-12,16,22H,7-10,13-15H2,1H3,(H2,27,29)/t16-,22+/m0/s1
• InChIKey: FAFHVGYZUGYJDQ-KSFYIVLOSA-N
• XLogP: 3.55
• TPSA: 89.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.56
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[2,5-difluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]cyclopropyl]methoxy]acetamide?

The IUPAC name of 2-[[1-[2,5-difluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]cyclopropyl]methoxy]acetamide (CID 129114681) is 2-[[1-[2,5-difluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]cyclopropyl]methoxy]acetamide.

What is the SMILES notation for 2-[[1-[2,5-difluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]cyclopropyl]methoxy]acetamide?

The canonical SMILES for 2-[[1-[2,5-difluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]cyclopropyl]methoxy]acetamide is C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(C2(COCC(N)=O)CC2)cc1F.

What is the InChIKey of 2-[[1-[2,5-difluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]cyclopropyl]methoxy]acetamide?

The InChIKey is FAFHVGYZUGYJDQ-KSFYIVLOSA-N. The full InChI is InChI=1S/C24H28F2N2O4S/c1-16-7-8-22(17-5-3-2-4-6-17)33(30,31)28(16)13-18-11-21(26)19(12-20(18)25)24(9-10-24)15-32-14-23(27)29/h2-6,11-12,16,22H,7-10,13-15H2,1H3,(H2,27,29)/t16-,22+/m0/s1.

What are the key properties of 2-[[1-[2,5-difluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]cyclopropyl]methoxy]acetamide?

2-[[1-[2,5-difluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]cyclopropyl]methoxy]acetamide has a molecular weight of 478.56 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[1-[2,5-difluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]cyclopropyl]methoxy]acetamide is sourced from PubChem (CID 129114681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).