N'-(2,5-difluorophenyl)-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]oxamide

C18H19F2N3O3S — CID 30835121

IUPACN'-(2,5-difluorophenyl)-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]oxamide
SMILESO=C(NC[C@H](c1cccs1)N1CCOCC1)C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C18H19F2N3O3S/c19-12-3-4-13(20)14(10-12)22-18(25)17(24)21-11-15(16-2-1-9-27-16)23-5-7-26-8-6-23/h1-4,9-10,15H,5-8,11H2,(H,21,24)(H,22,25)/t15-/m1/s1
InChIKeyNZQLWAAKWZOFFU-OAHLLOKOSA-N
MW395.43 g/mol
LogP2.15
Rot. Bonds5

About N'-(2,5-difluorophenyl)-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]oxamide

N'-(2,5-difluorophenyl)-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]oxamide (PubChem CID 30835121) has the molecular formula C18H19F2N3O3S and a molecular weight of 395.43 g/mol. Its IUPAC name is N'-(2,5-difluorophenyl)-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]oxamide.

Molecular Properties

Compound NameN'-(2,5-difluorophenyl)-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]oxamide
PubChem CID30835121
Molecular FormulaC18H19F2N3O3S
Molecular Weight395.43 g/mol
Exact Mass395.11
IUPAC NameN'-(2,5-difluorophenyl)-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]oxamide
SMILESO=C(NC[C@H](c1cccs1)N1CCOCC1)C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C18H19F2N3O3S/c19-12-3-4-13(20)14(10-12)22-18(25)17(24)21-11-15(16-2-1-9-27-16)23-5-7-26-8-6-23/h1-4,9-10,15H,5-8,11H2,(H,21,24)(H,22,25)/t15-/m1/s1
InChIKeyNZQLWAAKWZOFFU-OAHLLOKOSA-N
XLogP2.15
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 52.15
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

N'-(2-fluorophenyl)-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]oxamide
CID 30835113
N'-(2-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)oxamide
CID 18589172
N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]oxamide
CID 30835087
N'-(2,5-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide
CID 90500143
5-chloro-2-fluoro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 18148637
2,5-difluoro-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 30835869
N'-(2,5-difluorophenyl)-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]oxamide
CID 18571875
4-(2,5-difluorophenyl)-N'-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperazine-1-carboximidamide
CID 109450457
N'-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-(thiophen-2-ylmethyl)oxamide
CID 30835462
2-(4-chlorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
CID 4964221
N-[(2-methoxyphenyl)methyl]-N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)oxamide
CID 16831449
N'-(2,4-difluorophenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835584

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-difluorophenyl)-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]oxamide?
The IUPAC name of N'-(2,5-difluorophenyl)-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]oxamide (CID 30835121) is N'-(2,5-difluorophenyl)-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]oxamide.
What is the SMILES notation for N'-(2,5-difluorophenyl)-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]oxamide?
The canonical SMILES for N'-(2,5-difluorophenyl)-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]oxamide is O=C(NC[C@H](c1cccs1)N1CCOCC1)C(=O)Nc1cc(F)ccc1F.
What is the InChIKey of N'-(2,5-difluorophenyl)-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]oxamide?
The InChIKey is NZQLWAAKWZOFFU-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H19F2N3O3S/c19-12-3-4-13(20)14(10-12)22-18(25)17(24)21-11-15(16-2-1-9-27-16)23-5-7-26-8-6-23/h1-4,9-10,15H,5-8,11H2,(H,21,24)(H,22,25)/t15-/m1/s1.
What are the key properties of N'-(2,5-difluorophenyl)-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]oxamide?
N'-(2,5-difluorophenyl)-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]oxamide has a molecular weight of 395.43 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-difluorophenyl)-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]oxamide is sourced from PubChem (CID 30835121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).