N'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide

C19H21N3O4S — CID 16894948

IUPACN'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide
SMILESO=C(NCC(=O)N1CCOC(c2ccccc2)C1)C(=O)NCc1cccs1
InChIInChI=1S/C19H21N3O4S/c23-17(12-21-19(25)18(24)20-11-15-7-4-10-27-15)22-8-9-26-16(13-22)14-5-2-1-3-6-14/h1-7,10,16H,8-9,11-13H2,(H,20,24)(H,21,25)
InChIKeyTYNPSQFHFXXGCJ-UHFFFAOYSA-N
MW387.46 g/mol
LogP1.08
Rot. Bonds5

About N'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide

N'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide (PubChem CID 16894948) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide
PubChem CID16894948
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide
SMILESO=C(NCC(=O)N1CCOC(c2ccccc2)C1)C(=O)NCc1cccs1
InChIInChI=1S/C19H21N3O4S/c23-17(12-21-19(25)18(24)20-11-15-7-4-10-27-15)22-8-9-26-16(13-22)14-5-2-1-3-6-14/h1-7,10,16H,8-9,11-13H2,(H,20,24)(H,21,25)
InChIKeyTYNPSQFHFXXGCJ-UHFFFAOYSA-N
XLogP1.08
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide?
The IUPAC name of N'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide (CID 16894948) is N'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide?
The canonical SMILES for N'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide is O=C(NCC(=O)N1CCOC(c2ccccc2)C1)C(=O)NCc1cccs1.
What is the InChIKey of N'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide?
The InChIKey is TYNPSQFHFXXGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c23-17(12-21-19(25)18(24)20-11-15-7-4-10-27-15)22-8-9-26-16(13-22)14-5-2-1-3-6-14/h1-7,10,16H,8-9,11-13H2,(H,20,24)(H,21,25).
What are the key properties of N'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide?
N'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide has a molecular weight of 387.46 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide is sourced from PubChem (CID 16894948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).