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

C15H21N3O5S — CID 7639003

IUPACN'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-(2-methoxyethyl)oxamide
SMILESCOCCNC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1C
InChIInChI=1S/C15H21N3O5S/c1-11-4-5-12(18-7-3-9-24(18,21)22)10-13(11)17-15(20)14(19)16-6-8-23-2/h4-5,10H,3,6-9H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyZLQFDLDLXQVUFH-UHFFFAOYSA-N
MW355.42 g/mol
LogP0.24
Rot. Bonds5

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

N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-(2-methoxyethyl)oxamide (PubChem CID 7639003) has the molecular formula C15H21N3O5S and a molecular weight of 355.42 g/mol. Its IUPAC name is N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-(2-methoxyethyl)oxamide.

Molecular Properties

Compound NameN'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-(2-methoxyethyl)oxamide
PubChem CID7639003
Molecular FormulaC15H21N3O5S
Molecular Weight355.42 g/mol
Exact Mass355.12
IUPAC NameN'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-(2-methoxyethyl)oxamide
SMILESCOCCNC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1C
InChIInChI=1S/C15H21N3O5S/c1-11-4-5-12(18-7-3-9-24(18,21)22)10-13(11)17-15(20)14(19)16-6-8-23-2/h4-5,10H,3,6-9H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyZLQFDLDLXQVUFH-UHFFFAOYSA-N
XLogP0.24
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(2-methoxyethyl)oxamide?
The IUPAC name of N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-(2-methoxyethyl)oxamide (CID 7639003) is N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-(2-methoxyethyl)oxamide.
What is the SMILES notation for N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-(2-methoxyethyl)oxamide?
The canonical SMILES for N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-(2-methoxyethyl)oxamide is COCCNC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1C.
What is the InChIKey of N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-(2-methoxyethyl)oxamide?
The InChIKey is ZLQFDLDLXQVUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5S/c1-11-4-5-12(18-7-3-9-24(18,21)22)10-13(11)17-15(20)14(19)16-6-8-23-2/h4-5,10H,3,6-9H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-(2-methoxyethyl)oxamide?
N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-(2-methoxyethyl)oxamide has a molecular weight of 355.42 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 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-(2-methoxyethyl)oxamide is sourced from PubChem (CID 7639003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).