N'-(2-hydroxy-2-thiophen-2-ylpropyl)-N-(2-morpholin-4-ylethyl)oxamide

C15H23N3O4S — CID 90499911

IUPACN'-(2-hydroxy-2-thiophen-2-ylpropyl)-N-(2-morpholin-4-ylethyl)oxamide
SMILESCC(O)(CNC(=O)C(=O)NCCN1CCOCC1)c1cccs1
InChIInChI=1S/C15H23N3O4S/c1-15(21,12-3-2-10-23-12)11-17-14(20)13(19)16-4-5-18-6-8-22-9-7-18/h2-3,10,21H,4-9,11H2,1H3,(H,16,19)(H,17,20)
InChIKeyOQDPJKKFCFHYAQ-UHFFFAOYSA-N
MW341.43 g/mol
LogP-0.48
Rot. Bonds6

About N'-(2-hydroxy-2-thiophen-2-ylpropyl)-N-(2-morpholin-4-ylethyl)oxamide

N'-(2-hydroxy-2-thiophen-2-ylpropyl)-N-(2-morpholin-4-ylethyl)oxamide (PubChem CID 90499911) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is N'-(2-hydroxy-2-thiophen-2-ylpropyl)-N-(2-morpholin-4-ylethyl)oxamide.

Molecular Properties

Compound NameN'-(2-hydroxy-2-thiophen-2-ylpropyl)-N-(2-morpholin-4-ylethyl)oxamide
PubChem CID90499911
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC NameN'-(2-hydroxy-2-thiophen-2-ylpropyl)-N-(2-morpholin-4-ylethyl)oxamide
SMILESCC(O)(CNC(=O)C(=O)NCCN1CCOCC1)c1cccs1
InChIInChI=1S/C15H23N3O4S/c1-15(21,12-3-2-10-23-12)11-17-14(20)13(19)16-4-5-18-6-8-22-9-7-18/h2-3,10,21H,4-9,11H2,1H3,(H,16,19)(H,17,20)
InChIKeyOQDPJKKFCFHYAQ-UHFFFAOYSA-N
XLogP-0.48
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-morpholin-4-ylbenzamide
CID 71985097
N'-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-N-(2-morpholin-4-ylethyl)oxamide
CID 90497880
1-[(4-morpholin-4-ylphenyl)methylamino]-2-thiophen-2-ylpropan-2-ol
CID 111440525
N'-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 95983382
N'-(4-tert-butylphenyl)-N-(2-morpholin-4-ylethyl)oxamide
CID 108517566
N'-(2-morpholin-4-ylethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 29344676
N'-(3,4-dimethylphenyl)-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]oxamide
CID 95983351
N'-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide
CID 90499889
N-(2-morpholin-4-ylethyl)-N'-[(1S,2R)-1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]oxamide
CID 28821063
N'-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-N-(2-morpholin-4-ylethyl)oxamide
CID 16932264
(E)-2-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide
CID 110305491
N-(2-hydroxy-2-thiophen-2-ylpropyl)pentanamide
CID 90499744

Frequently Asked Questions

What is the IUPAC name of N'-(2-hydroxy-2-thiophen-2-ylpropyl)-N-(2-morpholin-4-ylethyl)oxamide?
The IUPAC name of N'-(2-hydroxy-2-thiophen-2-ylpropyl)-N-(2-morpholin-4-ylethyl)oxamide (CID 90499911) is N'-(2-hydroxy-2-thiophen-2-ylpropyl)-N-(2-morpholin-4-ylethyl)oxamide.
What is the SMILES notation for N'-(2-hydroxy-2-thiophen-2-ylpropyl)-N-(2-morpholin-4-ylethyl)oxamide?
The canonical SMILES for N'-(2-hydroxy-2-thiophen-2-ylpropyl)-N-(2-morpholin-4-ylethyl)oxamide is CC(O)(CNC(=O)C(=O)NCCN1CCOCC1)c1cccs1.
What is the InChIKey of N'-(2-hydroxy-2-thiophen-2-ylpropyl)-N-(2-morpholin-4-ylethyl)oxamide?
The InChIKey is OQDPJKKFCFHYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-15(21,12-3-2-10-23-12)11-17-14(20)13(19)16-4-5-18-6-8-22-9-7-18/h2-3,10,21H,4-9,11H2,1H3,(H,16,19)(H,17,20).
What are the key properties of N'-(2-hydroxy-2-thiophen-2-ylpropyl)-N-(2-morpholin-4-ylethyl)oxamide?
N'-(2-hydroxy-2-thiophen-2-ylpropyl)-N-(2-morpholin-4-ylethyl)oxamide has a molecular weight of 341.43 g/mol, XLogP of -0.48, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-hydroxy-2-thiophen-2-ylpropyl)-N-(2-morpholin-4-ylethyl)oxamide is sourced from PubChem (CID 90499911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).