N-hydroxy-2-[[4-(2-methylphenyl)phenyl]methyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide

C18H20N2O4S — CID 11473879

IUPACN-hydroxy-2-[[4-(2-methylphenyl)phenyl]methyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide
SMILESCc1ccccc1-c1ccc(CN2C(C(=O)NO)CCS2(=O)=O)cc1
InChIInChI=1S/C18H20N2O4S/c1-13-4-2-3-5-16(13)15-8-6-14(7-9-15)12-20-17(18(21)19-22)10-11-25(20,23)24/h2-9,17,22H,10-12H2,1H3,(H,19,21)
InChIKeyQDICWLMZEKDVEQ-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.07
Rot. Bonds4

About N-hydroxy-2-[[4-(2-methylphenyl)phenyl]methyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide

N-hydroxy-2-[[4-(2-methylphenyl)phenyl]methyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide (PubChem CID 11473879) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-hydroxy-2-[[4-(2-methylphenyl)phenyl]methyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[[4-(2-methylphenyl)phenyl]methyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide
PubChem CID11473879
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC NameN-hydroxy-2-[[4-(2-methylphenyl)phenyl]methyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide
SMILESCc1ccccc1-c1ccc(CN2C(C(=O)NO)CCS2(=O)=O)cc1
InChIInChI=1S/C18H20N2O4S/c1-13-4-2-3-5-16(13)15-8-6-14(7-9-15)12-20-17(18(21)19-22)10-11-25(20,23)24/h2-9,17,22H,10-12H2,1H3,(H,19,21)
InChIKeyQDICWLMZEKDVEQ-UHFFFAOYSA-N
XLogP2.07
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.07
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'}

Analyze N-hydroxy-2-[[4-(2-methylphenyl)phenyl]methyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[[4-(2-methylphenyl)phenyl]methyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide?
The IUPAC name of N-hydroxy-2-[[4-(2-methylphenyl)phenyl]methyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide (CID 11473879) is N-hydroxy-2-[[4-(2-methylphenyl)phenyl]methyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide.
What is the SMILES notation for N-hydroxy-2-[[4-(2-methylphenyl)phenyl]methyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide?
The canonical SMILES for N-hydroxy-2-[[4-(2-methylphenyl)phenyl]methyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide is Cc1ccccc1-c1ccc(CN2C(C(=O)NO)CCS2(=O)=O)cc1.
What is the InChIKey of N-hydroxy-2-[[4-(2-methylphenyl)phenyl]methyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide?
The InChIKey is QDICWLMZEKDVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-13-4-2-3-5-16(13)15-8-6-14(7-9-15)12-20-17(18(21)19-22)10-11-25(20,23)24/h2-9,17,22H,10-12H2,1H3,(H,19,21).
What are the key properties of N-hydroxy-2-[[4-(2-methylphenyl)phenyl]methyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide?
N-hydroxy-2-[[4-(2-methylphenyl)phenyl]methyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[[4-(2-methylphenyl)phenyl]methyl]-1,1-dioxo-1,2-thiazolidine-3-carboxamide is sourced from PubChem (CID 11473879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).