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

C21H28N4O3S — CID 18583633

IUPACN'-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-(thiophen-2-ylmethyl)oxamide
SMILESCN(C)c1ccc(C(CNC(=O)C(=O)NCc2cccs2)N2CCOCC2)cc1
InChIInChI=1S/C21H28N4O3S/c1-24(2)17-7-5-16(6-8-17)19(25-9-11-28-12-10-25)15-23-21(27)20(26)22-14-18-4-3-13-29-18/h3-8,13,19H,9-12,14-15H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyACXNAQUPPORICS-UHFFFAOYSA-N
MW416.55 g/mol
LogP1.62
Rot. Bonds7

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

N'-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-(thiophen-2-ylmethyl)oxamide (PubChem CID 18583633) has the molecular formula C21H28N4O3S and a molecular weight of 416.55 g/mol. Its IUPAC name is N'-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-(thiophen-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-(thiophen-2-ylmethyl)oxamide
PubChem CID18583633
Molecular FormulaC21H28N4O3S
Molecular Weight416.55 g/mol
Exact Mass416.19
IUPAC NameN'-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-(thiophen-2-ylmethyl)oxamide
SMILESCN(C)c1ccc(C(CNC(=O)C(=O)NCc2cccs2)N2CCOCC2)cc1
InChIInChI=1S/C21H28N4O3S/c1-24(2)17-7-5-16(6-8-17)19(25-9-11-28-12-10-25)15-23-21(27)20(26)22-14-18-4-3-13-29-18/h3-8,13,19H,9-12,14-15H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyACXNAQUPPORICS-UHFFFAOYSA-N
XLogP1.62
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-(thiophen-2-ylmethyl)oxamide?
The IUPAC name of N'-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-(thiophen-2-ylmethyl)oxamide (CID 18583633) is N'-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-(thiophen-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-(thiophen-2-ylmethyl)oxamide?
The canonical SMILES for N'-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-(thiophen-2-ylmethyl)oxamide is CN(C)c1ccc(C(CNC(=O)C(=O)NCc2cccs2)N2CCOCC2)cc1.
What is the InChIKey of N'-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-(thiophen-2-ylmethyl)oxamide?
The InChIKey is ACXNAQUPPORICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3S/c1-24(2)17-7-5-16(6-8-17)19(25-9-11-28-12-10-25)15-23-21(27)20(26)22-14-18-4-3-13-29-18/h3-8,13,19H,9-12,14-15H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of N'-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-(thiophen-2-ylmethyl)oxamide?
N'-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-(thiophen-2-ylmethyl)oxamide has a molecular weight of 416.55 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-(thiophen-2-ylmethyl)oxamide is sourced from PubChem (CID 18583633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).