(3R)-N-hydroxy-1,1-dioxo-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]thiazinane-3-carboxamide

C19H19F3N2O4S — CID 87971960

IUPAC(3R)-N-hydroxy-1,1-dioxo-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]thiazinane-3-carboxamide
SMILESO=C(NO)[C@H]1CCCS(=O)(=O)N1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C19H19F3N2O4S/c20-19(21,22)16-9-7-15(8-10-16)14-5-3-13(4-6-14)12-24-17(18(25)23-26)2-1-11-29(24,27)28/h3-10,17,26H,1-2,11-12H2,(H,23,25)/t17-/m1/s1
InChIKeyFBLZLSWEBCFLDU-QGZVFWFLSA-N
MW428.43 g/mol
LogP3.17
Rot. Bonds4

About (3R)-N-hydroxy-1,1-dioxo-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]thiazinane-3-carboxamide

(3R)-N-hydroxy-1,1-dioxo-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]thiazinane-3-carboxamide (PubChem CID 87971960) has the molecular formula C19H19F3N2O4S and a molecular weight of 428.43 g/mol. Its IUPAC name is (3R)-N-hydroxy-1,1-dioxo-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]thiazinane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-hydroxy-1,1-dioxo-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]thiazinane-3-carboxamide
PubChem CID87971960
Molecular FormulaC19H19F3N2O4S
Molecular Weight428.43 g/mol
Exact Mass428.10
IUPAC Name(3R)-N-hydroxy-1,1-dioxo-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]thiazinane-3-carboxamide
SMILESO=C(NO)[C@H]1CCCS(=O)(=O)N1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C19H19F3N2O4S/c20-19(21,22)16-9-7-15(8-10-16)14-5-3-13(4-6-14)12-24-17(18(25)23-26)2-1-11-29(24,27)28/h3-10,17,26H,1-2,11-12H2,(H,23,25)/t17-/m1/s1
InChIKeyFBLZLSWEBCFLDU-QGZVFWFLSA-N
XLogP3.17
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.43
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-hydroxy-1,1-dioxo-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]thiazinane-3-carboxamide?
The IUPAC name of (3R)-N-hydroxy-1,1-dioxo-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]thiazinane-3-carboxamide (CID 87971960) is (3R)-N-hydroxy-1,1-dioxo-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]thiazinane-3-carboxamide.
What is the SMILES notation for (3R)-N-hydroxy-1,1-dioxo-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]thiazinane-3-carboxamide?
The canonical SMILES for (3R)-N-hydroxy-1,1-dioxo-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]thiazinane-3-carboxamide is O=C(NO)[C@H]1CCCS(=O)(=O)N1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of (3R)-N-hydroxy-1,1-dioxo-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]thiazinane-3-carboxamide?
The InChIKey is FBLZLSWEBCFLDU-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H19F3N2O4S/c20-19(21,22)16-9-7-15(8-10-16)14-5-3-13(4-6-14)12-24-17(18(25)23-26)2-1-11-29(24,27)28/h3-10,17,26H,1-2,11-12H2,(H,23,25)/t17-/m1/s1.
What are the key properties of (3R)-N-hydroxy-1,1-dioxo-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]thiazinane-3-carboxamide?
(3R)-N-hydroxy-1,1-dioxo-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]thiazinane-3-carboxamide has a molecular weight of 428.43 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-hydroxy-1,1-dioxo-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]thiazinane-3-carboxamide is sourced from PubChem (CID 87971960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).