N'-(2,4-difluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)oxamide

C18H19F2N3O3S — CID 18589173

IUPACN'-(2,4-difluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)oxamide
SMILESO=C(NCC(c1cccs1)N1CCOCC1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C18H19F2N3O3S/c19-12-3-4-14(13(20)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)
InChIKeyLSAWUBJQXAJXMV-UHFFFAOYSA-N
MW395.43 g/mol
LogP2.15
Rot. Bonds5

About N'-(2,4-difluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)oxamide

N'-(2,4-difluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)oxamide (PubChem CID 18589173) has the molecular formula C18H19F2N3O3S and a molecular weight of 395.43 g/mol. Its IUPAC name is N'-(2,4-difluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)oxamide.

Molecular Properties

Compound NameN'-(2,4-difluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)oxamide
PubChem CID18589173
Molecular FormulaC18H19F2N3O3S
Molecular Weight395.43 g/mol
Exact Mass395.11
IUPAC NameN'-(2,4-difluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)oxamide
SMILESO=C(NCC(c1cccs1)N1CCOCC1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C18H19F2N3O3S/c19-12-3-4-14(13(20)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)
InChIKeyLSAWUBJQXAJXMV-UHFFFAOYSA-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'}

Analyze N'-(2,4-difluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-difluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)oxamide?
The IUPAC name of N'-(2,4-difluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)oxamide (CID 18589173) is N'-(2,4-difluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)oxamide.
What is the SMILES notation for N'-(2,4-difluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)oxamide?
The canonical SMILES for N'-(2,4-difluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)oxamide is O=C(NCC(c1cccs1)N1CCOCC1)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N'-(2,4-difluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)oxamide?
The InChIKey is LSAWUBJQXAJXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O3S/c19-12-3-4-14(13(20)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).
What are the key properties of N'-(2,4-difluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)oxamide?
N'-(2,4-difluorophenyl)-N-(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'-(2,4-difluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)oxamide is sourced from PubChem (CID 18589173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).