N-hydroxy-1,1-dioxo-2-[2-(4-phenylphenyl)ethyl]-1,2-thiazolidine-3-carboxamide

C18H20N2O4S — CID 10109170

IUPACN-hydroxy-1,1-dioxo-2-[2-(4-phenylphenyl)ethyl]-1,2-thiazolidine-3-carboxamide
SMILESO=C(NO)C1CCS(=O)(=O)N1CCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H20N2O4S/c21-18(19-22)17-11-13-25(23,24)20(17)12-10-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,17,22H,10-13H2,(H,19,21)
InChIKeyPIZFUXJESIVHOO-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.81
Rot. Bonds5

About N-hydroxy-1,1-dioxo-2-[2-(4-phenylphenyl)ethyl]-1,2-thiazolidine-3-carboxamide

N-hydroxy-1,1-dioxo-2-[2-(4-phenylphenyl)ethyl]-1,2-thiazolidine-3-carboxamide (PubChem CID 10109170) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-hydroxy-1,1-dioxo-2-[2-(4-phenylphenyl)ethyl]-1,2-thiazolidine-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1,1-dioxo-2-[2-(4-phenylphenyl)ethyl]-1,2-thiazolidine-3-carboxamide
PubChem CID10109170
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC NameN-hydroxy-1,1-dioxo-2-[2-(4-phenylphenyl)ethyl]-1,2-thiazolidine-3-carboxamide
SMILESO=C(NO)C1CCS(=O)(=O)N1CCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H20N2O4S/c21-18(19-22)17-11-13-25(23,24)20(17)12-10-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,17,22H,10-13H2,(H,19,21)
InChIKeyPIZFUXJESIVHOO-UHFFFAOYSA-N
XLogP1.81
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.81
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 N-hydroxy-1,1-dioxo-2-[2-(4-phenylphenyl)ethyl]-1,2-thiazolidine-3-carboxamide?
The IUPAC name of N-hydroxy-1,1-dioxo-2-[2-(4-phenylphenyl)ethyl]-1,2-thiazolidine-3-carboxamide (CID 10109170) is N-hydroxy-1,1-dioxo-2-[2-(4-phenylphenyl)ethyl]-1,2-thiazolidine-3-carboxamide.
What is the SMILES notation for N-hydroxy-1,1-dioxo-2-[2-(4-phenylphenyl)ethyl]-1,2-thiazolidine-3-carboxamide?
The canonical SMILES for N-hydroxy-1,1-dioxo-2-[2-(4-phenylphenyl)ethyl]-1,2-thiazolidine-3-carboxamide is O=C(NO)C1CCS(=O)(=O)N1CCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-hydroxy-1,1-dioxo-2-[2-(4-phenylphenyl)ethyl]-1,2-thiazolidine-3-carboxamide?
The InChIKey is PIZFUXJESIVHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c21-18(19-22)17-11-13-25(23,24)20(17)12-10-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,17,22H,10-13H2,(H,19,21).
What are the key properties of N-hydroxy-1,1-dioxo-2-[2-(4-phenylphenyl)ethyl]-1,2-thiazolidine-3-carboxamide?
N-hydroxy-1,1-dioxo-2-[2-(4-phenylphenyl)ethyl]-1,2-thiazolidine-3-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1,1-dioxo-2-[2-(4-phenylphenyl)ethyl]-1,2-thiazolidine-3-carboxamide is sourced from PubChem (CID 10109170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).