4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-hydroxy-4-methylphenyl)benzamide

C17H18N2O4S — CID 18109023

IUPAC4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-hydroxy-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2)c(O)c1
InChIInChI=1S/C17H18N2O4S/c1-12-3-8-15(16(20)11-12)18-17(21)13-4-6-14(7-5-13)19-9-2-10-24(19,22)23/h3-8,11,20H,2,9-10H2,1H3,(H,18,21)
InChIKeyCAYDLJDQMLJZDJ-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.49
Rot. Bonds3

About 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-hydroxy-4-methylphenyl)benzamide

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-hydroxy-4-methylphenyl)benzamide (PubChem CID 18109023) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-hydroxy-4-methylphenyl)benzamide.

Molecular Properties

Compound Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-hydroxy-4-methylphenyl)benzamide
PubChem CID18109023
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-hydroxy-4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2)c(O)c1
InChIInChI=1S/C17H18N2O4S/c1-12-3-8-15(16(20)11-12)18-17(21)13-4-6-14(7-5-13)19-9-2-10-24(19,22)23/h3-8,11,20H,2,9-10H2,1H3,(H,18,21)
InChIKeyCAYDLJDQMLJZDJ-UHFFFAOYSA-N
XLogP2.49
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methylbenzamide
CID 7627515
N-(5-acetyl-2-methylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 110618406
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-fluoro-4-methylphenyl)benzamide
CID 18134910
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,5-dimethylbenzamide
CID 7424221
N-(2-chloro-4,6-dimethylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 110295534
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 42414553
4-hydroxy-N-(2-hydroxy-4-methylphenyl)benzamide
CID 60654456
4-(1,1-dioxothiazinan-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 7685602
N-(5-bromo-2-methoxyphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 55905131
N-(2-chloro-4-nitrophenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7498981
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-piperidin-1-ylbenzamide
CID 46979712
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-methyl-4-nitrobenzamide
CID 7483183

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-hydroxy-4-methylphenyl)benzamide?
The IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-hydroxy-4-methylphenyl)benzamide (CID 18109023) is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-hydroxy-4-methylphenyl)benzamide.
What is the SMILES notation for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-hydroxy-4-methylphenyl)benzamide?
The canonical SMILES for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-hydroxy-4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2)c(O)c1.
What is the InChIKey of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-hydroxy-4-methylphenyl)benzamide?
The InChIKey is CAYDLJDQMLJZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-12-3-8-15(16(20)11-12)18-17(21)13-4-6-14(7-5-13)19-9-2-10-24(19,22)23/h3-8,11,20H,2,9-10H2,1H3,(H,18,21).
What are the key properties of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-hydroxy-4-methylphenyl)benzamide?
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-hydroxy-4-methylphenyl)benzamide has a molecular weight of 346.41 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-hydroxy-4-methylphenyl)benzamide is sourced from PubChem (CID 18109023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).