N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-[(4-fluorophenyl)methyl]oxamide

C19H20FN3O4S — CID 7639004

IUPACN'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-[(4-fluorophenyl)methyl]oxamide
SMILESCc1ccc(N2CCCS2(=O)=O)cc1NC(=O)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H20FN3O4S/c1-13-3-8-16(23-9-2-10-28(23,26)27)11-17(13)22-19(25)18(24)21-12-14-4-6-15(20)7-5-14/h3-8,11H,2,9-10,12H2,1H3,(H,21,24)(H,22,25)
InChIKeyQSRJIFKUNSPDSE-UHFFFAOYSA-N
MW405.45 g/mol
LogP1.93
Rot. Bonds4

About N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-[(4-fluorophenyl)methyl]oxamide

N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-[(4-fluorophenyl)methyl]oxamide (PubChem CID 7639004) has the molecular formula C19H20FN3O4S and a molecular weight of 405.45 g/mol. Its IUPAC name is N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-[(4-fluorophenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-[(4-fluorophenyl)methyl]oxamide
PubChem CID7639004
Molecular FormulaC19H20FN3O4S
Molecular Weight405.45 g/mol
Exact Mass405.12
IUPAC NameN'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-[(4-fluorophenyl)methyl]oxamide
SMILESCc1ccc(N2CCCS2(=O)=O)cc1NC(=O)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H20FN3O4S/c1-13-3-8-16(23-9-2-10-28(23,26)27)11-17(13)22-19(25)18(24)21-12-14-4-6-15(20)7-5-14/h3-8,11H,2,9-10,12H2,1H3,(H,21,24)(H,22,25)
InChIKeyQSRJIFKUNSPDSE-UHFFFAOYSA-N
XLogP1.93
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-[(4-fluorophenyl)methyl]oxamide?
The IUPAC name of N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-[(4-fluorophenyl)methyl]oxamide (CID 7639004) is N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-[(4-fluorophenyl)methyl]oxamide.
What is the SMILES notation for N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-[(4-fluorophenyl)methyl]oxamide?
The canonical SMILES for N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-[(4-fluorophenyl)methyl]oxamide is Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-[(4-fluorophenyl)methyl]oxamide?
The InChIKey is QSRJIFKUNSPDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O4S/c1-13-3-8-16(23-9-2-10-28(23,26)27)11-17(13)22-19(25)18(24)21-12-14-4-6-15(20)7-5-14/h3-8,11H,2,9-10,12H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-[(4-fluorophenyl)methyl]oxamide?
N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-[(4-fluorophenyl)methyl]oxamide has a molecular weight of 405.45 g/mol, XLogP of 1.93, 4 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-[(4-fluorophenyl)methyl]oxamide is sourced from PubChem (CID 7639004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).