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

C17H24N4O5S — CID 7627754

IUPACN'-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)oxamide
SMILESO=C(NCCN1CCOCC1)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C17H24N4O5S/c22-16(18-6-8-20-9-11-26-12-10-20)17(23)19-14-2-4-15(5-3-14)21-7-1-13-27(21,24)25/h2-5H,1,6-13H2,(H,18,22)(H,19,23)
InChIKeyLRPRINFMOYYNLT-UHFFFAOYSA-N
MW396.47 g/mol
LogP-0.39
Rot. Bonds5

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

N'-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)oxamide (PubChem CID 7627754) has the molecular formula C17H24N4O5S and a molecular weight of 396.47 g/mol. Its IUPAC name is N'-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)oxamide.

Molecular Properties

Compound NameN'-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)oxamide
PubChem CID7627754
Molecular FormulaC17H24N4O5S
Molecular Weight396.47 g/mol
Exact Mass396.15
IUPAC NameN'-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)oxamide
SMILESO=C(NCCN1CCOCC1)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C17H24N4O5S/c22-16(18-6-8-20-9-11-26-12-10-20)17(23)19-14-2-4-15(5-3-14)21-7-1-13-27(21,24)25/h2-5H,1,6-13H2,(H,18,22)(H,19,23)
InChIKeyLRPRINFMOYYNLT-UHFFFAOYSA-N
XLogP-0.39
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)oxamide?
The IUPAC name of N'-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)oxamide (CID 7627754) is N'-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)oxamide.
What is the SMILES notation for N'-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)oxamide?
The canonical SMILES for N'-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)oxamide is O=C(NCCN1CCOCC1)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1.
What is the InChIKey of N'-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)oxamide?
The InChIKey is LRPRINFMOYYNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O5S/c22-16(18-6-8-20-9-11-26-12-10-20)17(23)19-14-2-4-15(5-3-14)21-7-1-13-27(21,24)25/h2-5H,1,6-13H2,(H,18,22)(H,19,23).
What are the key properties of N'-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)oxamide?
N'-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)oxamide has a molecular weight of 396.47 g/mol, XLogP of -0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)oxamide is sourced from PubChem (CID 7627754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).