N'-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]-N-(pyridin-3-ylmethyl)oxamide

C19H24N4O3S — CID 92665752

IUPACN'-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]-N-(pyridin-3-ylmethyl)oxamide
SMILESC[C@@H](NC(=O)C(=O)NCc1cccnc1)[C@@H](c1cccs1)N1CCOCC1
InChIInChI=1S/C19H24N4O3S/c1-14(17(16-5-3-11-27-16)23-7-9-26-10-8-23)22-19(25)18(24)21-13-15-4-2-6-20-12-15/h2-6,11-12,14,17H,7-10,13H2,1H3,(H,21,24)(H,22,25)/t14-,17+/m1/s1
InChIKeyYWYNJWDRSFBNCT-PBHICJAKSA-N
MW388.49 g/mol
LogP1.34
Rot. Bonds6

About N'-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]-N-(pyridin-3-ylmethyl)oxamide

N'-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]-N-(pyridin-3-ylmethyl)oxamide (PubChem CID 92665752) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is N'-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]-N-(pyridin-3-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]-N-(pyridin-3-ylmethyl)oxamide
PubChem CID92665752
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC NameN'-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]-N-(pyridin-3-ylmethyl)oxamide
SMILESC[C@@H](NC(=O)C(=O)NCc1cccnc1)[C@@H](c1cccs1)N1CCOCC1
InChIInChI=1S/C19H24N4O3S/c1-14(17(16-5-3-11-27-16)23-7-9-26-10-8-23)22-19(25)18(24)21-13-15-4-2-6-20-12-15/h2-6,11-12,14,17H,7-10,13H2,1H3,(H,21,24)(H,22,25)/t14-,17+/m1/s1
InChIKeyYWYNJWDRSFBNCT-PBHICJAKSA-N
XLogP1.34
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-N-(pyridin-3-ylmethyl)oxamide
CID 20866441
N-[(4-fluorophenyl)methyl]-N'-[(1R,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]oxamide
CID 92665747
N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide
CID 3241321
N-(1,3-benzodioxol-5-ylmethyl)-N'-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]oxamide
CID 28820708
N-[(2-chlorophenyl)methyl]-N'-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]oxamide
CID 7110520
N-[(2-chlorophenyl)methyl]-N'-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)oxamide
CID 16806516
N-benzyl-N'-[(1R,2S)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]oxamide
CID 30675335
N'-[(1S,2S)-1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-N-(2-morpholin-4-ylethyl)oxamide
CID 92766668
N'-[(1R,2R)-1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-N-(pyridin-2-ylmethyl)oxamide
CID 28821069
N-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]furan-2-carboxamide
CID 29181274
N-[2-(1H-indol-3-yl)ethyl]-N'-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]oxamide
CID 28820719
N-[(4-methoxyphenyl)methyl]-N'-[(1R,2S)-1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]oxamide
CID 92665794

Frequently Asked Questions

What is the IUPAC name of N'-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]-N-(pyridin-3-ylmethyl)oxamide?
The IUPAC name of N'-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]-N-(pyridin-3-ylmethyl)oxamide (CID 92665752) is N'-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]-N-(pyridin-3-ylmethyl)oxamide.
What is the SMILES notation for N'-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]-N-(pyridin-3-ylmethyl)oxamide?
The canonical SMILES for N'-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]-N-(pyridin-3-ylmethyl)oxamide is C[C@@H](NC(=O)C(=O)NCc1cccnc1)[C@@H](c1cccs1)N1CCOCC1.
What is the InChIKey of N'-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]-N-(pyridin-3-ylmethyl)oxamide?
The InChIKey is YWYNJWDRSFBNCT-PBHICJAKSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-14(17(16-5-3-11-27-16)23-7-9-26-10-8-23)22-19(25)18(24)21-13-15-4-2-6-20-12-15/h2-6,11-12,14,17H,7-10,13H2,1H3,(H,21,24)(H,22,25)/t14-,17+/m1/s1.
What are the key properties of N'-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]-N-(pyridin-3-ylmethyl)oxamide?
N'-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]-N-(pyridin-3-ylmethyl)oxamide has a molecular weight of 388.49 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]-N-(pyridin-3-ylmethyl)oxamide is sourced from PubChem (CID 92665752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).