N-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-N'-(2-methylphenyl)oxamide

C19H21N3O4S — CID 166215063

IUPACN-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-N'-(2-methylphenyl)oxamide
SMILESCc1ccccc1NC(=O)C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C19H21N3O4S/c1-14-5-2-3-6-17(14)21-19(24)18(23)20-13-15-7-9-16(10-8-15)22-11-4-12-27(22,25)26/h2-3,5-10H,4,11-13H2,1H3,(H,20,23)(H,21,24)
InChIKeyUWURIAXZOYYESY-UHFFFAOYSA-N
MW387.46 g/mol
LogP1.79
Rot. Bonds4

About N-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-N'-(2-methylphenyl)oxamide

N-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-N'-(2-methylphenyl)oxamide (PubChem CID 166215063) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-N'-(2-methylphenyl)oxamide.

Molecular Properties

Compound NameN-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-N'-(2-methylphenyl)oxamide
PubChem CID166215063
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-N'-(2-methylphenyl)oxamide
SMILESCc1ccccc1NC(=O)C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C19H21N3O4S/c1-14-5-2-3-6-17(14)21-19(24)18(23)20-13-15-7-9-16(10-8-15)22-11-4-12-27(22,25)26/h2-3,5-10H,4,11-13H2,1H3,(H,20,23)(H,21,24)
InChIKeyUWURIAXZOYYESY-UHFFFAOYSA-N
XLogP1.79
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-N'-(2-methylphenyl)oxamide with MolForge

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

Launch Full Analysis

Related Compounds

1-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-3-[2-(2-methylphenyl)ethyl]urea
CID 166214760
N-[(4-chlorophenyl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 20937866
N'-[4-(1,1-dioxothiazinan-2-yl)phenyl]-N-(2-phenylethyl)oxamide
CID 7584678
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 9488235
4-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122010058
N-(cyclohexen-1-ylmethyl)-N'-(2-methylphenyl)oxamide
CID 43917175
1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(2-ethoxyphenyl)urea
CID 30375036
N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-[3-(trifluoromethyl)phenyl]oxamide
CID 121054557
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(ethylaminomethyl)phenyl]-2-methylbenzamide
CID 119440347
N-[2-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyanilino]-2-oxoethyl]-2-methylbenzamide
CID 55815050
ethyl N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]carbamate
CID 7638850
methyl 4-[[2-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylanilino]-2-oxoacetyl]amino]benzoate
CID 44901589

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-N'-(2-methylphenyl)oxamide?
The IUPAC name of N-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-N'-(2-methylphenyl)oxamide (CID 166215063) is N-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-N'-(2-methylphenyl)oxamide.
What is the SMILES notation for N-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-N'-(2-methylphenyl)oxamide?
The canonical SMILES for N-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-N'-(2-methylphenyl)oxamide is Cc1ccccc1NC(=O)C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1.
What is the InChIKey of N-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-N'-(2-methylphenyl)oxamide?
The InChIKey is UWURIAXZOYYESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-14-5-2-3-6-17(14)21-19(24)18(23)20-13-15-7-9-16(10-8-15)22-11-4-12-27(22,25)26/h2-3,5-10H,4,11-13H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-N'-(2-methylphenyl)oxamide?
N-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-N'-(2-methylphenyl)oxamide has a molecular weight of 387.46 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-N'-(2-methylphenyl)oxamide is sourced from PubChem (CID 166215063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).