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

C25H31FN2O4S — CID 118232770

IUPAC2-[4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]oxan-4-yl]acetamide
SMILESC[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(C2(CC(N)=O)CCOCC2)cc1F
InChIInChI=1S/C25H31FN2O4S/c1-18-7-10-23(19-5-3-2-4-6-19)33(30,31)28(18)17-20-8-9-21(15-22(20)26)25(16-24(27)29)11-13-32-14-12-25/h2-6,8-9,15,18,23H,7,10-14,16-17H2,1H3,(H2,27,29)/t18-,23+/m0/s1
InChIKeyLLNANIABTJIUAU-FDDCHVKYSA-N
MW474.60 g/mol
LogP3.80
Rot. Bonds6

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

2-[4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]oxan-4-yl]acetamide (PubChem CID 118232770) has the molecular formula C25H31FN2O4S and a molecular weight of 474.60 g/mol. Its IUPAC name is 2-[4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]oxan-4-yl]acetamide.

Molecular Properties

Compound Name2-[4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]oxan-4-yl]acetamide
PubChem CID118232770
Molecular FormulaC25H31FN2O4S
Molecular Weight474.60 g/mol
Exact Mass474.20
IUPAC Name2-[4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]oxan-4-yl]acetamide
SMILESC[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(C2(CC(N)=O)CCOCC2)cc1F
InChIInChI=1S/C25H31FN2O4S/c1-18-7-10-23(19-5-3-2-4-6-19)33(30,31)28(18)17-20-8-9-21(15-22(20)26)25(16-24(27)29)11-13-32-14-12-25/h2-6,8-9,15,18,23H,7,10-14,16-17H2,1H3,(H2,27,29)/t18-,23+/m0/s1
InChIKeyLLNANIABTJIUAU-FDDCHVKYSA-N
XLogP3.80
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.60
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]oxan-4-yl]acetamide with MolForge

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Related Compounds

US9751873, Example 110
CID 118223046
US9751873, Example 143
CID 118223050
US9751873, Example 103
CID 118223069
US9751873, Example 57
CID 118223097
US9751873, Example 115
CID 118223101
US9751873, Example 130
CID 118223131
US9751873, Example 102
CID 118230691
2-[(4R)-1-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]ethyl sulfamate
CID 87270579
2-[1-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]ethyl sulfamate
CID 87270580
2-[(4S)-1-[(1R)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]ethyl sulfamate
CID 91338179
2-[3-[3-fluoro-4-[[(3S)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]phenyl]acetamide
CID 117796426
methyl 4-[2,5-difluoro-4-[[(3S,6S)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]oxane-4-carboxylate
CID 118222941

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]oxan-4-yl]acetamide?
The IUPAC name of 2-[4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]oxan-4-yl]acetamide (CID 118232770) is 2-[4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]oxan-4-yl]acetamide.
What is the SMILES notation for 2-[4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]oxan-4-yl]acetamide?
The canonical SMILES for 2-[4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]oxan-4-yl]acetamide is C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(C2(CC(N)=O)CCOCC2)cc1F.
What is the InChIKey of 2-[4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]oxan-4-yl]acetamide?
The InChIKey is LLNANIABTJIUAU-FDDCHVKYSA-N. The full InChI is InChI=1S/C25H31FN2O4S/c1-18-7-10-23(19-5-3-2-4-6-19)33(30,31)28(18)17-20-8-9-21(15-22(20)26)25(16-24(27)29)11-13-32-14-12-25/h2-6,8-9,15,18,23H,7,10-14,16-17H2,1H3,(H2,27,29)/t18-,23+/m0/s1.
What are the key properties of 2-[4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]oxan-4-yl]acetamide?
2-[4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]oxan-4-yl]acetamide has a molecular weight of 474.60 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]oxan-4-yl]acetamide is sourced from PubChem (CID 118232770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).