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

C22H27FN2O4S — CID 139542351

IUPAC(2R)-2-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]-4-hydroxybutanamide
SMILESC[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc([C@@H](CCO)C(N)=O)cc1F
InChIInChI=1S/C22H27FN2O4S/c1-15-7-10-21(16-5-3-2-4-6-16)30(28,29)25(15)14-18-9-8-17(13-20(18)23)19(11-12-26)22(24)27/h2-6,8-9,13,15,19,21,26H,7,10-12,14H2,1H3,(H2,24,27)/t15-,19+,21+/m0/s1
InChIKeyDBIISZZKMVAJMY-NYSBEXSLSA-N
MW434.53 g/mol
LogP2.83
Rot. Bonds7

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

(2R)-2-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]-4-hydroxybutanamide (PubChem CID 139542351) has the molecular formula C22H27FN2O4S and a molecular weight of 434.53 g/mol. Its IUPAC name is (2R)-2-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]-4-hydroxybutanamide.

Molecular Properties

Compound Name(2R)-2-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]-4-hydroxybutanamide
PubChem CID139542351
Molecular FormulaC22H27FN2O4S
Molecular Weight434.53 g/mol
Exact Mass434.17
IUPAC Name(2R)-2-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]-4-hydroxybutanamide
SMILESC[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc([C@@H](CCO)C(N)=O)cc1F
InChIInChI=1S/C22H27FN2O4S/c1-15-7-10-21(16-5-3-2-4-6-16)30(28,29)25(15)14-18-9-8-17(13-20(18)23)19(11-12-26)22(24)27/h2-6,8-9,13,15,19,21,26H,7,10-12,14H2,1H3,(H2,24,27)/t15-,19+,21+/m0/s1
InChIKeyDBIISZZKMVAJMY-NYSBEXSLSA-N
XLogP2.83
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]-4-hydroxybutanamide?
The IUPAC name of (2R)-2-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]-4-hydroxybutanamide (CID 139542351) is (2R)-2-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]-4-hydroxybutanamide.
What is the SMILES notation for (2R)-2-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]-4-hydroxybutanamide?
The canonical SMILES for (2R)-2-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]-4-hydroxybutanamide is C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc([C@@H](CCO)C(N)=O)cc1F.
What is the InChIKey of (2R)-2-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]-4-hydroxybutanamide?
The InChIKey is DBIISZZKMVAJMY-NYSBEXSLSA-N. The full InChI is InChI=1S/C22H27FN2O4S/c1-15-7-10-21(16-5-3-2-4-6-16)30(28,29)25(15)14-18-9-8-17(13-20(18)23)19(11-12-26)22(24)27/h2-6,8-9,13,15,19,21,26H,7,10-12,14H2,1H3,(H2,24,27)/t15-,19+,21+/m0/s1.
What are the key properties of (2R)-2-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]-4-hydroxybutanamide?
(2R)-2-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]-4-hydroxybutanamide has a molecular weight of 434.53 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]-4-hydroxybutanamide is sourced from PubChem (CID 139542351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).