N-[3-(4-morpholin-4-ylphenyl)propyl]-N'-(thiophen-2-ylmethyl)oxamide

C20H25N3O3S — CID 16892165

IUPACN-[3-(4-morpholin-4-ylphenyl)propyl]-N'-(thiophen-2-ylmethyl)oxamide
SMILESO=C(NCCCc1ccc(N2CCOCC2)cc1)C(=O)NCc1cccs1
InChIInChI=1S/C20H25N3O3S/c24-19(20(25)22-15-18-4-2-14-27-18)21-9-1-3-16-5-7-17(8-6-16)23-10-12-26-13-11-23/h2,4-8,14H,1,3,9-13,15H2,(H,21,24)(H,22,25)
InChIKeyRJPSBFVOZZTMEU-UHFFFAOYSA-N
MW387.51 g/mol
LogP1.95
Rot. Bonds7

About N-[3-(4-morpholin-4-ylphenyl)propyl]-N'-(thiophen-2-ylmethyl)oxamide

N-[3-(4-morpholin-4-ylphenyl)propyl]-N'-(thiophen-2-ylmethyl)oxamide (PubChem CID 16892165) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[3-(4-morpholin-4-ylphenyl)propyl]-N'-(thiophen-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN-[3-(4-morpholin-4-ylphenyl)propyl]-N'-(thiophen-2-ylmethyl)oxamide
PubChem CID16892165
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-[3-(4-morpholin-4-ylphenyl)propyl]-N'-(thiophen-2-ylmethyl)oxamide
SMILESO=C(NCCCc1ccc(N2CCOCC2)cc1)C(=O)NCc1cccs1
InChIInChI=1S/C20H25N3O3S/c24-19(20(25)22-15-18-4-2-14-27-18)21-9-1-3-16-5-7-17(8-6-16)23-10-12-26-13-11-23/h2,4-8,14H,1,3,9-13,15H2,(H,21,24)(H,22,25)
InChIKeyRJPSBFVOZZTMEU-UHFFFAOYSA-N
XLogP1.95
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-morpholin-4-ylethyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide
CID 16892160
N-[3-(4-pyrrolidin-1-ylphenyl)propyl]-2-thiophen-2-ylacetamide
CID 16889915
N'-benzyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891636
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(thiophen-2-ylmethyl)oxamide
CID 42389811
N'-(2-ethylphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide
CID 16892183
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
N'-[(2-chlorophenyl)methyl]-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891703
N'-(3-methoxyphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide
CID 16892181
N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]-N'-(2-phenylethyl)oxamide
CID 16891850
3-methyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzamide
CID 16890049
N-[3-(4-methoxyphenyl)propyl]-4-morpholin-4-ylbenzamide
CID 70702781
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 26973149

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-morpholin-4-ylphenyl)propyl]-N'-(thiophen-2-ylmethyl)oxamide?
The IUPAC name of N-[3-(4-morpholin-4-ylphenyl)propyl]-N'-(thiophen-2-ylmethyl)oxamide (CID 16892165) is N-[3-(4-morpholin-4-ylphenyl)propyl]-N'-(thiophen-2-ylmethyl)oxamide.
What is the SMILES notation for N-[3-(4-morpholin-4-ylphenyl)propyl]-N'-(thiophen-2-ylmethyl)oxamide?
The canonical SMILES for N-[3-(4-morpholin-4-ylphenyl)propyl]-N'-(thiophen-2-ylmethyl)oxamide is O=C(NCCCc1ccc(N2CCOCC2)cc1)C(=O)NCc1cccs1.
What is the InChIKey of N-[3-(4-morpholin-4-ylphenyl)propyl]-N'-(thiophen-2-ylmethyl)oxamide?
The InChIKey is RJPSBFVOZZTMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c24-19(20(25)22-15-18-4-2-14-27-18)21-9-1-3-16-5-7-17(8-6-16)23-10-12-26-13-11-23/h2,4-8,14H,1,3,9-13,15H2,(H,21,24)(H,22,25).
What are the key properties of N-[3-(4-morpholin-4-ylphenyl)propyl]-N'-(thiophen-2-ylmethyl)oxamide?
N-[3-(4-morpholin-4-ylphenyl)propyl]-N'-(thiophen-2-ylmethyl)oxamide has a molecular weight of 387.51 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-morpholin-4-ylphenyl)propyl]-N'-(thiophen-2-ylmethyl)oxamide is sourced from PubChem (CID 16892165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).