N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-N-(2-morpholin-4-ylethyl)oxamide

C18H26N4O6S — CID 29138842

IUPACN'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-N-(2-morpholin-4-ylethyl)oxamide
SMILESCOc1ccc(N2CCCS2(=O)=O)cc1NC(=O)C(=O)NCCN1CCOCC1
InChIInChI=1S/C18H26N4O6S/c1-27-16-4-3-14(22-6-2-12-29(22,25)26)13-15(16)20-18(24)17(23)19-5-7-21-8-10-28-11-9-21/h3-4,13H,2,5-12H2,1H3,(H,19,23)(H,20,24)
InChIKeyVQQFWTVUVNOIIM-UHFFFAOYSA-N
MW426.50 g/mol
LogP-0.38
Rot. Bonds6

About N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-N-(2-morpholin-4-ylethyl)oxamide

N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-N-(2-morpholin-4-ylethyl)oxamide (PubChem CID 29138842) has the molecular formula C18H26N4O6S and a molecular weight of 426.50 g/mol. Its IUPAC name is N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-N-(2-morpholin-4-ylethyl)oxamide.

Molecular Properties

Compound NameN'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-N-(2-morpholin-4-ylethyl)oxamide
PubChem CID29138842
Molecular FormulaC18H26N4O6S
Molecular Weight426.50 g/mol
Exact Mass426.16
IUPAC NameN'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-N-(2-morpholin-4-ylethyl)oxamide
SMILESCOc1ccc(N2CCCS2(=O)=O)cc1NC(=O)C(=O)NCCN1CCOCC1
InChIInChI=1S/C18H26N4O6S/c1-27-16-4-3-14(22-6-2-12-29(22,25)26)13-15(16)20-18(24)17(23)19-5-7-21-8-10-28-11-9-21/h3-4,13H,2,5-12H2,1H3,(H,19,23)(H,20,24)
InChIKeyVQQFWTVUVNOIIM-UHFFFAOYSA-N
XLogP-0.38
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-(2-methoxy-5-methylphenyl)oxamide
CID 44901585
3-acetamido-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]propanamide
CID 110421393
N'-(2-methoxy-5-nitrophenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 108518532
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3,4-dimethylbenzamide
CID 7483263
1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3-(oxolan-2-ylmethyl)urea
CID 91812706
1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3-[(4-fluorophenyl)methyl]urea
CID 30375278
5-chloro-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-methoxybenzamide
CID 7483243
dimethyl 2-[[2-(2-morpholin-4-ylethylamino)-2-oxoacetyl]amino]benzene-1,4-dicarboxylate
CID 108517524
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-4-(trifluoromethyl)benzamide
CID 7483289
N'-(2,5-dimethoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891638
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-2-methyl-3-phenylpropanamide
CID 110353737
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]acetamide
CID 7627611

Frequently Asked Questions

What is the IUPAC name of N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-N-(2-morpholin-4-ylethyl)oxamide?
The IUPAC name of N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-N-(2-morpholin-4-ylethyl)oxamide (CID 29138842) is N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-N-(2-morpholin-4-ylethyl)oxamide.
What is the SMILES notation for N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-N-(2-morpholin-4-ylethyl)oxamide?
The canonical SMILES for N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-N-(2-morpholin-4-ylethyl)oxamide is COc1ccc(N2CCCS2(=O)=O)cc1NC(=O)C(=O)NCCN1CCOCC1.
What is the InChIKey of N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-N-(2-morpholin-4-ylethyl)oxamide?
The InChIKey is VQQFWTVUVNOIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O6S/c1-27-16-4-3-14(22-6-2-12-29(22,25)26)13-15(16)20-18(24)17(23)19-5-7-21-8-10-28-11-9-21/h3-4,13H,2,5-12H2,1H3,(H,19,23)(H,20,24).
What are the key properties of N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-N-(2-morpholin-4-ylethyl)oxamide?
N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-N-(2-morpholin-4-ylethyl)oxamide has a molecular weight of 426.50 g/mol, XLogP of -0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-N-(2-morpholin-4-ylethyl)oxamide is sourced from PubChem (CID 29138842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).