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

C19H21N3O4S — CID 7638989

IUPACN-benzyl-N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]oxamide
SMILESCc1ccc(N2CCCS2(=O)=O)cc1NC(=O)C(=O)NCc1ccccc1
InChIInChI=1S/C19H21N3O4S/c1-14-8-9-16(22-10-5-11-27(22,25)26)12-17(14)21-19(24)18(23)20-13-15-6-3-2-4-7-15/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,20,23)(H,21,24)
InChIKeyLDAZJOXJHNPOPO-UHFFFAOYSA-N
MW387.46 g/mol
LogP1.79
Rot. Bonds4

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

N-benzyl-N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]oxamide (PubChem CID 7638989) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-benzyl-N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]oxamide.

Molecular Properties

Compound NameN-benzyl-N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]oxamide
PubChem CID7638989
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN-benzyl-N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]oxamide
SMILESCc1ccc(N2CCCS2(=O)=O)cc1NC(=O)C(=O)NCc1ccccc1
InChIInChI=1S/C19H21N3O4S/c1-14-8-9-16(22-10-5-11-27(22,25)26)12-17(14)21-19(24)18(23)20-13-15-6-3-2-4-7-15/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,20,23)(H,21,24)
InChIKeyLDAZJOXJHNPOPO-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'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]oxamide?
The IUPAC name of N-benzyl-N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]oxamide (CID 7638989) is N-benzyl-N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]oxamide.
What is the SMILES notation for N-benzyl-N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]oxamide?
The canonical SMILES for N-benzyl-N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]oxamide is Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]oxamide?
The InChIKey is LDAZJOXJHNPOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-14-8-9-16(22-10-5-11-27(22,25)26)12-17(14)21-19(24)18(23)20-13-15-6-3-2-4-7-15/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-benzyl-N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]oxamide?
N-benzyl-N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-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-benzyl-N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]oxamide is sourced from PubChem (CID 7638989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).