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

C26H33FN2O4S — CID 118232466

IUPAC3-[4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]oxan-4-yl]propanamide
SMILESC[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(C2(CCC(N)=O)CCOCC2)cc1F
InChIInChI=1S/C26H33FN2O4S/c1-19-7-10-24(20-5-3-2-4-6-20)34(31,32)29(19)18-21-8-9-22(17-23(21)27)26(12-11-25(28)30)13-15-33-16-14-26/h2-6,8-9,17,19,24H,7,10-16,18H2,1H3,(H2,28,30)/t19-,24+/m0/s1
InChIKeyMACWZIPCBIUQMW-YADARESESA-N
MW488.63 g/mol
LogP4.19
Rot. Bonds7

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

3-[4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]oxan-4-yl]propanamide (PubChem CID 118232466) has the molecular formula C26H33FN2O4S and a molecular weight of 488.63 g/mol. Its IUPAC name is 3-[4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]oxan-4-yl]propanamide.

Molecular Properties

Compound Name3-[4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]oxan-4-yl]propanamide
PubChem CID118232466
Molecular FormulaC26H33FN2O4S
Molecular Weight488.63 g/mol
Exact Mass488.21
IUPAC Name3-[4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]oxan-4-yl]propanamide
SMILESC[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(C2(CCC(N)=O)CCOCC2)cc1F
InChIInChI=1S/C26H33FN2O4S/c1-19-7-10-24(20-5-3-2-4-6-20)34(31,32)29(19)18-21-8-9-22(17-23(21)27)26(12-11-25(28)30)13-15-33-16-14-26/h2-6,8-9,17,19,24H,7,10-16,18H2,1H3,(H2,28,30)/t19-,24+/m0/s1
InChIKeyMACWZIPCBIUQMW-YADARESESA-N
XLogP4.19
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.63
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]oxan-4-yl]propanamide?
The IUPAC name of 3-[4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]oxan-4-yl]propanamide (CID 118232466) is 3-[4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]oxan-4-yl]propanamide.
What is the SMILES notation for 3-[4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]oxan-4-yl]propanamide?
The canonical SMILES for 3-[4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]oxan-4-yl]propanamide is C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(C2(CCC(N)=O)CCOCC2)cc1F.
What is the InChIKey of 3-[4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]oxan-4-yl]propanamide?
The InChIKey is MACWZIPCBIUQMW-YADARESESA-N. The full InChI is InChI=1S/C26H33FN2O4S/c1-19-7-10-24(20-5-3-2-4-6-20)34(31,32)29(19)18-21-8-9-22(17-23(21)27)26(12-11-25(28)30)13-15-33-16-14-26/h2-6,8-9,17,19,24H,7,10-16,18H2,1H3,(H2,28,30)/t19-,24+/m0/s1.
What are the key properties of 3-[4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]oxan-4-yl]propanamide?
3-[4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]oxan-4-yl]propanamide has a molecular weight of 488.63 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]oxan-4-yl]propanamide is sourced from PubChem (CID 118232466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).