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

C14H19N3O5S — CID 7638922

IUPACN'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(2-methoxyethyl)oxamide
SMILESCOCCNC(=O)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C14H19N3O5S/c1-22-8-6-15-13(18)14(19)16-11-4-2-5-12(10-11)17-7-3-9-23(17,20)21/h2,4-5,10H,3,6-9H2,1H3,(H,15,18)(H,16,19)
InChIKeyUAFGOLQUZOYDRH-UHFFFAOYSA-N
MW341.39 g/mol
LogP-0.07
Rot. Bonds5

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

N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(2-methoxyethyl)oxamide (PubChem CID 7638922) has the molecular formula C14H19N3O5S and a molecular weight of 341.39 g/mol. Its IUPAC name is N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(2-methoxyethyl)oxamide.

Molecular Properties

Compound NameN'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(2-methoxyethyl)oxamide
PubChem CID7638922
Molecular FormulaC14H19N3O5S
Molecular Weight341.39 g/mol
Exact Mass341.10
IUPAC NameN'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(2-methoxyethyl)oxamide
SMILESCOCCNC(=O)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C14H19N3O5S/c1-22-8-6-15-13(18)14(19)16-11-4-2-5-12(10-11)17-7-3-9-23(17,20)21/h2,4-5,10H,3,6-9H2,1H3,(H,15,18)(H,16,19)
InChIKeyUAFGOLQUZOYDRH-UHFFFAOYSA-N
XLogP-0.07
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 5-0.07
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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Related Compounds

N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 45494621
2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-methoxypropanamide
CID 120985942
[2-(2-methoxyethylamino)-2-oxoethyl] 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 55508802
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-oxo-2-piperidin-1-ylacetamide
CID 45493330
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]butanamide
CID 7638744
4-butoxy-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 7483166
N-(1H-benzimidazol-2-ylmethyl)-N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]oxamide
CID 51048789
(2R)-2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide
CID 119289907
2-(3,4-dimethoxyphenyl)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide
CID 7483155
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3,4,5-triethoxybenzamide
CID 18564859
4-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]butanamide
CID 22690097
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(2-methylphenoxy)acetamide
CID 7638794

Frequently Asked Questions

What is the IUPAC name of N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(2-methoxyethyl)oxamide?
The IUPAC name of N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(2-methoxyethyl)oxamide (CID 7638922) is N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(2-methoxyethyl)oxamide.
What is the SMILES notation for N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(2-methoxyethyl)oxamide?
The canonical SMILES for N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(2-methoxyethyl)oxamide is COCCNC(=O)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1.
What is the InChIKey of N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(2-methoxyethyl)oxamide?
The InChIKey is UAFGOLQUZOYDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O5S/c1-22-8-6-15-13(18)14(19)16-11-4-2-5-12(10-11)17-7-3-9-23(17,20)21/h2,4-5,10H,3,6-9H2,1H3,(H,15,18)(H,16,19).
What are the key properties of N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(2-methoxyethyl)oxamide?
N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(2-methoxyethyl)oxamide has a molecular weight of 341.39 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(2-methoxyethyl)oxamide is sourced from PubChem (CID 7638922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).