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

C18H26N4O5S — CID 7639012

IUPACN'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-(2-morpholin-4-ylethyl)oxamide
SMILESCc1ccc(N2CCCS2(=O)=O)cc1NC(=O)C(=O)NCCN1CCOCC1
InChIInChI=1S/C18H26N4O5S/c1-14-3-4-15(22-6-2-12-28(22,25)26)13-16(14)20-18(24)17(23)19-5-7-21-8-10-27-11-9-21/h3-4,13H,2,5-12H2,1H3,(H,19,23)(H,20,24)
InChIKeyLPNGTGDIWYQIBL-UHFFFAOYSA-N
MW410.50 g/mol
LogP-0.08
Rot. Bonds5

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

N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-(2-morpholin-4-ylethyl)oxamide (PubChem CID 7639012) has the molecular formula C18H26N4O5S and a molecular weight of 410.50 g/mol. Its IUPAC name is N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-(2-morpholin-4-ylethyl)oxamide.

Molecular Properties

Compound NameN'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-(2-morpholin-4-ylethyl)oxamide
PubChem CID7639012
Molecular FormulaC18H26N4O5S
Molecular Weight410.50 g/mol
Exact Mass410.16
IUPAC NameN'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-(2-morpholin-4-ylethyl)oxamide
SMILESCc1ccc(N2CCCS2(=O)=O)cc1NC(=O)C(=O)NCCN1CCOCC1
InChIInChI=1S/C18H26N4O5S/c1-14-3-4-15(22-6-2-12-28(22,25)26)13-16(14)20-18(24)17(23)19-5-7-21-8-10-27-11-9-21/h3-4,13H,2,5-12H2,1H3,(H,19,23)(H,20,24)
InChIKeyLPNGTGDIWYQIBL-UHFFFAOYSA-N
XLogP-0.08
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(4-acetylpiperazin-1-yl)phenyl]methyl]-N-(2-methoxyethyl)-1-phenylmethanesulfonamide
CID 89659414
N-(2-methylphenyl)-N-[2-(morpholin-4-yl)-2-oxoethyl]methanesulfonamide
CID 694747
2-[(4-Methylphenyl)(methylsulfonyl)amino]-1-morpholin-4-ylethan-1-one
CID 1095117
N-(4-Ethyl-phenyl)-N-(2-morpholin-4-yl-2-oxo-ethyl)-methanesulfonamide
CID 887121
N-(5-amino-2-methylphenyl)-2-morpholinoacetamide
CID 859542
N'-(4-ethylphenyl)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]oxamide
CID 3127471
N'-(4-methylphenyl)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]oxamide
CID 2273687
N1-(5-(1,1-dioxidoisothiazolidin-2-yl)-2-methylphenyl)-N2-(4-fluorobenzyl)oxalamide
CID 7639004
N-Cyclopentyl-2-methyl-1-(2-methylphenyl)-6-oxo-4-(propane-1-sulfonyl)piperazine-2-carboxamide
CID 16021442
N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 7586310
N'-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)oxamide
CID 7627754
N-(5-(1,1-dioxidoisothiazolidin-2-yl)-2-methylphenyl)-2-methoxyacetamide
CID 7638831

Frequently Asked Questions

What is the IUPAC name of N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-(2-morpholin-4-ylethyl)oxamide?
The IUPAC name of N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-(2-morpholin-4-ylethyl)oxamide (CID 7639012) is N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-(2-morpholin-4-ylethyl)oxamide.
What is the SMILES notation for N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-(2-morpholin-4-ylethyl)oxamide?
The canonical SMILES for N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-(2-morpholin-4-ylethyl)oxamide is Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)C(=O)NCCN1CCOCC1.
What is the InChIKey of N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-(2-morpholin-4-ylethyl)oxamide?
The InChIKey is LPNGTGDIWYQIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O5S/c1-14-3-4-15(22-6-2-12-28(22,25)26)13-16(14)20-18(24)17(23)19-5-7-21-8-10-27-11-9-21/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-methylphenyl]-N-(2-morpholin-4-ylethyl)oxamide?
N'-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-N-(2-morpholin-4-ylethyl)oxamide has a molecular weight of 410.50 g/mol, XLogP of -0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 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-morpholin-4-ylethyl)oxamide is sourced from PubChem (CID 7639012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).