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

C25H31FN2O4S — CID 145226488

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

2-(cyclopropylmethoxy)-2-[2-fluoro-5-methyl-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]acetamide (PubChem CID 145226488) has the molecular formula C25H31FN2O4S and a molecular weight of 474.60 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-2-[2-fluoro-5-methyl-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(cyclopropylmethoxy)-2-[2-fluoro-5-methyl-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]acetamide
• PubChem CID: 145226488
• Molecular Formula: C25H31FN2O4S
• Molecular Weight: 474.60 g/mol
• Exact Mass: 474.20
• IUPAC Name: 2-(cyclopropylmethoxy)-2-[2-fluoro-5-methyl-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]acetamide
• SMILES: Cc1cc(C(OCC2CC2)C(N)=O)c(F)cc1CN1[C@@H](C)CC[C@H](c2ccccc2)S1(=O)=O
• InChI: InChI=1S/C25H31FN2O4S/c1-16-12-21(24(25(27)29)32-15-18-9-10-18)22(26)13-20(16)14-28-17(2)8-11-23(33(28,30)31)19-6-4-3-5-7-19/h3-7,12-13,17-18,23-24H,8-11,14-15H2,1-2H3,(H2,27,29)/t17-,23+,24?/m0/s1
• InChIKey: CGWDREKPSILENB-HDTCWFHRSA-N
• XLogP: 4.14
• 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	474.60
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-(cyclopropylmethoxy)-2-[2-fluoro-5-methyl-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]acetamide (CID 145226488) is 2-(cyclopropylmethoxy)-2-[2-fluoro-5-methyl-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]acetamide.

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

The canonical SMILES for 2-(cyclopropylmethoxy)-2-[2-fluoro-5-methyl-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]acetamide is Cc1cc(C(OCC2CC2)C(N)=O)c(F)cc1CN1[C@@H](C)CC[C@H](c2ccccc2)S1(=O)=O.

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

The InChIKey is CGWDREKPSILENB-HDTCWFHRSA-N. The full InChI is InChI=1S/C25H31FN2O4S/c1-16-12-21(24(25(27)29)32-15-18-9-10-18)22(26)13-20(16)14-28-17(2)8-11-23(33(28,30)31)19-6-4-3-5-7-19/h3-7,12-13,17-18,23-24H,8-11,14-15H2,1-2H3,(H2,27,29)/t17-,23+,24?/m0/s1.

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

2-(cyclopropylmethoxy)-2-[2-fluoro-5-methyl-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]acetamide has a molecular weight of 474.60 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(cyclopropylmethoxy)-2-[2-fluoro-5-methyl-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 145226488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).