N'-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)oxamide

C13H11FN2O2S — CID 2203485

IUPACN'-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)oxamide
SMILESO=C(NCc1cccs1)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C13H11FN2O2S/c14-9-3-1-4-10(7-9)16-13(18)12(17)15-8-11-5-2-6-19-11/h1-7H,8H2,(H,15,17)(H,16,18)
InChIKeyIOWTVNXMMPGGEO-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.14
Rot. Bonds3

About N'-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)oxamide

N'-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)oxamide (PubChem CID 2203485) has the molecular formula C13H11FN2O2S and a molecular weight of 278.31 g/mol. Its IUPAC name is N'-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)oxamide
PubChem CID2203485
Molecular FormulaC13H11FN2O2S
Molecular Weight278.31 g/mol
Exact Mass278.05
IUPAC NameN'-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)oxamide
SMILESO=C(NCc1cccs1)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C13H11FN2O2S/c14-9-3-1-4-10(7-9)16-13(18)12(17)15-8-11-5-2-6-19-11/h1-7H,8H2,(H,15,17)(H,16,18)
InChIKeyIOWTVNXMMPGGEO-UHFFFAOYSA-N
XLogP2.14
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)oxamide?
The IUPAC name of N'-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)oxamide (CID 2203485) is N'-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)oxamide.
What is the SMILES notation for N'-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)oxamide?
The canonical SMILES for N'-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)oxamide is O=C(NCc1cccs1)C(=O)Nc1cccc(F)c1.
What is the InChIKey of N'-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)oxamide?
The InChIKey is IOWTVNXMMPGGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2S/c14-9-3-1-4-10(7-9)16-13(18)12(17)15-8-11-5-2-6-19-11/h1-7H,8H2,(H,15,17)(H,16,18).
What are the key properties of N'-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)oxamide?
N'-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)oxamide has a molecular weight of 278.31 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)oxamide is sourced from PubChem (CID 2203485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).