N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-[3-(trifluoromethyl)phenyl]oxamide

C19H18F3N3O4S — CID 121054557

IUPACN'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-[3-(trifluoromethyl)phenyl]oxamide
SMILESCc1ccc(N2CCCS2(=O)=O)cc1NC(=O)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H18F3N3O4S/c1-12-6-7-15(25-8-3-9-30(25,28)29)11-16(12)24-18(27)17(26)23-14-5-2-4-13(10-14)19(20,21)22/h2,4-7,10-11H,3,8-9H2,1H3,(H,23,26)(H,24,27)
InChIKeyJUIWVOIPJAODEL-UHFFFAOYSA-N
MW441.43 g/mol
LogP3.13
Rot. Bonds3

About N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-[3-(trifluoromethyl)phenyl]oxamide

N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-[3-(trifluoromethyl)phenyl]oxamide (PubChem CID 121054557) has the molecular formula C19H18F3N3O4S and a molecular weight of 441.43 g/mol. Its IUPAC name is N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-[3-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-[3-(trifluoromethyl)phenyl]oxamide
PubChem CID121054557
Molecular FormulaC19H18F3N3O4S
Molecular Weight441.43 g/mol
Exact Mass441.10
IUPAC NameN'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-[3-(trifluoromethyl)phenyl]oxamide
SMILESCc1ccc(N2CCCS2(=O)=O)cc1NC(=O)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H18F3N3O4S/c1-12-6-7-15(25-8-3-9-30(25,28)29)11-16(12)24-18(27)17(26)23-14-5-2-4-13(10-14)19(20,21)22/h2,4-7,10-11H,3,8-9H2,1H3,(H,23,26)(H,24,27)
InChIKeyJUIWVOIPJAODEL-UHFFFAOYSA-N
XLogP3.13
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.43
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56552808
methyl N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]carbamate
CID 7638849
ethyl N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]carbamate
CID 7638850
N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(2-methoxyethyl)oxamide
CID 7638922
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide
CID 55503618
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-4-(trifluoromethyl)benzamide
CID 7483289
N-(3-benzamido-4-methylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide
CID 90130016
N-(4-bromo-2-methylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108501480
1-(2,5-dimethylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 4101764
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 17497673
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-2-ethoxybenzamide
CID 7483175
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 55932456

Frequently Asked Questions

What is the IUPAC name of N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-[3-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-[3-(trifluoromethyl)phenyl]oxamide (CID 121054557) is N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-[3-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-[3-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-[3-(trifluoromethyl)phenyl]oxamide is Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-[3-(trifluoromethyl)phenyl]oxamide?
The InChIKey is JUIWVOIPJAODEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O4S/c1-12-6-7-15(25-8-3-9-30(25,28)29)11-16(12)24-18(27)17(26)23-14-5-2-4-13(10-14)19(20,21)22/h2,4-7,10-11H,3,8-9H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-[3-(trifluoromethyl)phenyl]oxamide?
N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-[3-(trifluoromethyl)phenyl]oxamide has a molecular weight of 441.43 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-[3-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 121054557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).