N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-(thiophen-2-ylmethyl)oxamide

C19H22FN3O3S — CID 18589272

IUPACN'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-(thiophen-2-ylmethyl)oxamide
SMILESO=C(NCc1cccs1)C(=O)NCC(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C19H22FN3O3S/c20-15-5-3-14(4-6-15)17(23-7-9-26-10-8-23)13-22-19(25)18(24)21-12-16-2-1-11-27-16/h1-6,11,17H,7-10,12-13H2,(H,21,24)(H,22,25)
InChIKeyVGWIDICLLONEMG-UHFFFAOYSA-N
MW391.47 g/mol
LogP1.69
Rot. Bonds6

About N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-(thiophen-2-ylmethyl)oxamide

N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-(thiophen-2-ylmethyl)oxamide (PubChem CID 18589272) has the molecular formula C19H22FN3O3S and a molecular weight of 391.47 g/mol. Its IUPAC name is N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-(thiophen-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-(thiophen-2-ylmethyl)oxamide
PubChem CID18589272
Molecular FormulaC19H22FN3O3S
Molecular Weight391.47 g/mol
Exact Mass391.14
IUPAC NameN'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-(thiophen-2-ylmethyl)oxamide
SMILESO=C(NCc1cccs1)C(=O)NCC(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C19H22FN3O3S/c20-15-5-3-14(4-6-15)17(23-7-9-26-10-8-23)13-22-19(25)18(24)21-12-16-2-1-11-27-16/h1-6,11,17H,7-10,12-13H2,(H,21,24)(H,22,25)
InChIKeyVGWIDICLLONEMG-UHFFFAOYSA-N
XLogP1.69
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)butanamide
CID 16194567
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CID 16281807
(S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-(piperidin-1-yl)ethylamino)-2-(thiophen-3-yl)acetamide
CID 10323427
2-[methyl(thiophen-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide
CID 4876213
N-[1-(Morpholine-4-carbonyl)-2-thiophen-2-yl-vinyl]-benzamide
CID 2262661
(E)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide
CID 2569251
N-[2-(4-fluorophenyl)ethyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 2608928
N-(2-Methylbutan-2-YL)-2-(4-methylphenyl)-2-{N-[2-(morpholin-4-YL)ethyl]-2-(thiophen-2-ylformamido)acetamido}acetamide
CID 3215806
2-[3-(2-fluorobenzyl)-2-oxoimidazolidin-1-yl]-N-(thien-2-ylmethyl)acetamide
CID 3236197
2-(4-Fluorophenyl)-N-[1-(4-methylpiperazin-1-YL)-1-(thiophen-2-YL)propan-2-YL]acetamide
CID 3236509
N-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)cyclohexanecarboxamide
CID 5310438
N-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)benzamide
CID 9550302

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-(thiophen-2-ylmethyl)oxamide?
The IUPAC name of N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-(thiophen-2-ylmethyl)oxamide (CID 18589272) is N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-(thiophen-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-(thiophen-2-ylmethyl)oxamide?
The canonical SMILES for N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-(thiophen-2-ylmethyl)oxamide is O=C(NCc1cccs1)C(=O)NCC(c1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-(thiophen-2-ylmethyl)oxamide?
The InChIKey is VGWIDICLLONEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3S/c20-15-5-3-14(4-6-15)17(23-7-9-26-10-8-23)13-22-19(25)18(24)21-12-16-2-1-11-27-16/h1-6,11,17H,7-10,12-13H2,(H,21,24)(H,22,25).
What are the key properties of N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-(thiophen-2-ylmethyl)oxamide?
N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-(thiophen-2-ylmethyl)oxamide has a molecular weight of 391.47 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-(thiophen-2-ylmethyl)oxamide is sourced from PubChem (CID 18589272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).