N'-(2,3-difluorophenyl)-N-(thiophen-2-ylmethyl)oxamide

C13H10F2N2O2S — CID 47457450

IUPACN'-(2,3-difluorophenyl)-N-(thiophen-2-ylmethyl)oxamide
SMILESO=C(NCc1cccs1)C(=O)Nc1cccc(F)c1F
InChIInChI=1S/C13H10F2N2O2S/c14-9-4-1-5-10(11(9)15)17-13(19)12(18)16-7-8-3-2-6-20-8/h1-6H,7H2,(H,16,18)(H,17,19)
InChIKeyKAKXZBMYKLQLES-UHFFFAOYSA-N
MW296.30 g/mol
LogP2.28
Rot. Bonds3

About N'-(2,3-difluorophenyl)-N-(thiophen-2-ylmethyl)oxamide

N'-(2,3-difluorophenyl)-N-(thiophen-2-ylmethyl)oxamide (PubChem CID 47457450) has the molecular formula C13H10F2N2O2S and a molecular weight of 296.30 g/mol. Its IUPAC name is N'-(2,3-difluorophenyl)-N-(thiophen-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(2,3-difluorophenyl)-N-(thiophen-2-ylmethyl)oxamide
PubChem CID47457450
Molecular FormulaC13H10F2N2O2S
Molecular Weight296.30 g/mol
Exact Mass296.04
IUPAC NameN'-(2,3-difluorophenyl)-N-(thiophen-2-ylmethyl)oxamide
SMILESO=C(NCc1cccs1)C(=O)Nc1cccc(F)c1F
InChIInChI=1S/C13H10F2N2O2S/c14-9-4-1-5-10(11(9)15)17-13(19)12(18)16-7-8-3-2-6-20-8/h1-6H,7H2,(H,16,18)(H,17,19)
InChIKeyKAKXZBMYKLQLES-UHFFFAOYSA-N
XLogP2.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
1-(thiophen-2-ylmethyl)-3-(2,3,4-trifluorophenyl)urea
CID 47173526
N'-(2,3-difluorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]oxamide
CID 86856678
N'-(2-fluorophenyl)-N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]oxamide
CID 97106557
N'-(3,5-dimethylphenyl)-N-(thiophen-2-ylmethyl)oxamide
CID 7292734
N'-[3,5-bis(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)oxamide
CID 139833843
N'-(2,3-difluorophenyl)-N-[(3-methoxyphenyl)methyl]oxamide
CID 86856664
N'-(2,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)oxamide
CID 3220610
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
2,3-difluoro-N-(2-thiophen-2-ylethyl)benzamide
CID 62649314
N'-[4-[(S)-methylsulfinyl]phenyl]-N-(thiophen-2-ylmethyl)oxamide
CID 97257633
2-fluoro-N-(thiophen-2-ylmethyl)acetamide
CID 150063829

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-difluorophenyl)-N-(thiophen-2-ylmethyl)oxamide?
The IUPAC name of N'-(2,3-difluorophenyl)-N-(thiophen-2-ylmethyl)oxamide (CID 47457450) is N'-(2,3-difluorophenyl)-N-(thiophen-2-ylmethyl)oxamide.
What is the SMILES notation for N'-(2,3-difluorophenyl)-N-(thiophen-2-ylmethyl)oxamide?
The canonical SMILES for N'-(2,3-difluorophenyl)-N-(thiophen-2-ylmethyl)oxamide is O=C(NCc1cccs1)C(=O)Nc1cccc(F)c1F.
What is the InChIKey of N'-(2,3-difluorophenyl)-N-(thiophen-2-ylmethyl)oxamide?
The InChIKey is KAKXZBMYKLQLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O2S/c14-9-4-1-5-10(11(9)15)17-13(19)12(18)16-7-8-3-2-6-20-8/h1-6H,7H2,(H,16,18)(H,17,19).
What are the key properties of N'-(2,3-difluorophenyl)-N-(thiophen-2-ylmethyl)oxamide?
N'-(2,3-difluorophenyl)-N-(thiophen-2-ylmethyl)oxamide has a molecular weight of 296.30 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-difluorophenyl)-N-(thiophen-2-ylmethyl)oxamide is sourced from PubChem (CID 47457450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).