(2R)-N-hydroxy-1-[4-methylsulfanyl-3-(trifluoromethoxy)benzoyl]azetidine-2-carboxamide

C13H13F3N2O4S — CID 10066445

IUPAC(2R)-N-hydroxy-1-[4-methylsulfanyl-3-(trifluoromethoxy)benzoyl]azetidine-2-carboxamide
SMILESCSc1ccc(C(=O)N2CC[C@@H]2C(=O)NO)cc1OC(F)(F)F
InChIInChI=1S/C13H13F3N2O4S/c1-23-10-3-2-7(6-9(10)22-13(14,15)16)12(20)18-5-4-8(18)11(19)17-21/h2-3,6,8,21H,4-5H2,1H3,(H,17,19)/t8-/m1/s1
InChIKeyZDICGEJZENWRQZ-MRVPVSSYSA-N
MW350.32 g/mol
LogP2.03
Rot. Bonds4

About (2R)-N-hydroxy-1-[4-methylsulfanyl-3-(trifluoromethoxy)benzoyl]azetidine-2-carboxamide

(2R)-N-hydroxy-1-[4-methylsulfanyl-3-(trifluoromethoxy)benzoyl]azetidine-2-carboxamide (PubChem CID 10066445) has the molecular formula C13H13F3N2O4S and a molecular weight of 350.32 g/mol. Its IUPAC name is (2R)-N-hydroxy-1-[4-methylsulfanyl-3-(trifluoromethoxy)benzoyl]azetidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-1-[4-methylsulfanyl-3-(trifluoromethoxy)benzoyl]azetidine-2-carboxamide
PubChem CID10066445
Molecular FormulaC13H13F3N2O4S
Molecular Weight350.32 g/mol
Exact Mass350.05
IUPAC Name(2R)-N-hydroxy-1-[4-methylsulfanyl-3-(trifluoromethoxy)benzoyl]azetidine-2-carboxamide
SMILESCSc1ccc(C(=O)N2CC[C@@H]2C(=O)NO)cc1OC(F)(F)F
InChIInChI=1S/C13H13F3N2O4S/c1-23-10-3-2-7(6-9(10)22-13(14,15)16)12(20)18-5-4-8(18)11(19)17-21/h2-3,6,8,21H,4-5H2,1H3,(H,17,19)/t8-/m1/s1
InChIKeyZDICGEJZENWRQZ-MRVPVSSYSA-N
XLogP2.03
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.32
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

(2R)-1-[4-methylsulfanyl-3-(trifluoromethoxy)benzoyl]azetidine-2-carboxylic acid
CID 69383411
N-hydroxy-1-[4-methoxy-3-(trifluoromethoxy)benzoyl]azetidine-2-carboxamide
CID 85079953
1-[4-ethyl-3-(trifluoromethoxy)benzoyl]-N-hydroxyazetidine-2-carboxamide
CID 85087240
N-hydroxy-1-[4-prop-2-enoxy-3-(trifluoromethoxy)benzoyl]azetidine-2-carboxamide
CID 85146678
(2R)-1-[4-butoxy-3-(trifluoromethylsulfanyl)benzoyl]-N-hydroxyazetidine-2-carboxamide
CID 10318338
(2R)-N-hydroxy-1-(3-methylsulfanylbenzoyl)azetidine-2-carboxamide
CID 10355565
(2R)-1-(3,5-dimethoxy-4-methylbenzoyl)-N-hydroxyazetidine-2-carboxamide
CID 10040078
1-[4-prop-2-enoxy-3-(trifluoromethoxy)benzoyl]azetidine-2-carboxylic acid
CID 69382888
N-cyclopropyl-1-[4-(trifluoromethoxy)benzoyl]pyrrolidine-2-carboxamide
CID 86924377
methyl (2R)-1-(3-methoxy-4-methylbenzoyl)azetidine-2-carboxylate
CID 68682554
(2R)-1-(4-ethenoxy-3-methoxy-5-prop-2-enylbenzoyl)-N-hydroxyazetidine-2-carboxamide
CID 10471941
(2R)-N-hydroxy-1-[[4-methoxy-3-(trifluoromethylsulfanyl)phenyl]methyl]azetidine-2-carboxamide
CID 10337074

Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-1-[4-methylsulfanyl-3-(trifluoromethoxy)benzoyl]azetidine-2-carboxamide?
The IUPAC name of (2R)-N-hydroxy-1-[4-methylsulfanyl-3-(trifluoromethoxy)benzoyl]azetidine-2-carboxamide (CID 10066445) is (2R)-N-hydroxy-1-[4-methylsulfanyl-3-(trifluoromethoxy)benzoyl]azetidine-2-carboxamide.
What is the SMILES notation for (2R)-N-hydroxy-1-[4-methylsulfanyl-3-(trifluoromethoxy)benzoyl]azetidine-2-carboxamide?
The canonical SMILES for (2R)-N-hydroxy-1-[4-methylsulfanyl-3-(trifluoromethoxy)benzoyl]azetidine-2-carboxamide is CSc1ccc(C(=O)N2CC[C@@H]2C(=O)NO)cc1OC(F)(F)F.
What is the InChIKey of (2R)-N-hydroxy-1-[4-methylsulfanyl-3-(trifluoromethoxy)benzoyl]azetidine-2-carboxamide?
The InChIKey is ZDICGEJZENWRQZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H13F3N2O4S/c1-23-10-3-2-7(6-9(10)22-13(14,15)16)12(20)18-5-4-8(18)11(19)17-21/h2-3,6,8,21H,4-5H2,1H3,(H,17,19)/t8-/m1/s1.
What are the key properties of (2R)-N-hydroxy-1-[4-methylsulfanyl-3-(trifluoromethoxy)benzoyl]azetidine-2-carboxamide?
(2R)-N-hydroxy-1-[4-methylsulfanyl-3-(trifluoromethoxy)benzoyl]azetidine-2-carboxamide has a molecular weight of 350.32 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-1-[4-methylsulfanyl-3-(trifluoromethoxy)benzoyl]azetidine-2-carboxamide is sourced from PubChem (CID 10066445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).