N'-phenyl-N-(thiophen-2-ylmethyl)oxamide

C13H12N2O2S — CID 2891396

IUPACN'-phenyl-N-(thiophen-2-ylmethyl)oxamide
SMILESO=C(NCc1cccs1)C(=O)Nc1ccccc1
InChIInChI=1S/C13H12N2O2S/c16-12(14-9-11-7-4-8-18-11)13(17)15-10-5-2-1-3-6-10/h1-8H,9H2,(H,14,16)(H,15,17)
InChIKeySIEWQPLFFGQRCL-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.00
Rot. Bonds3

About N'-phenyl-N-(thiophen-2-ylmethyl)oxamide

N'-phenyl-N-(thiophen-2-ylmethyl)oxamide (PubChem CID 2891396) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is N'-phenyl-N-(thiophen-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-phenyl-N-(thiophen-2-ylmethyl)oxamide
PubChem CID2891396
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC NameN'-phenyl-N-(thiophen-2-ylmethyl)oxamide
SMILESO=C(NCc1cccs1)C(=O)Nc1ccccc1
InChIInChI=1S/C13H12N2O2S/c16-12(14-9-11-7-4-8-18-11)13(17)15-10-5-2-1-3-6-10/h1-8H,9H2,(H,14,16)(H,15,17)
InChIKeySIEWQPLFFGQRCL-UHFFFAOYSA-N
XLogP2.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.00
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'-phenyl-N-(thiophen-2-ylmethyl)oxamide?
The IUPAC name of N'-phenyl-N-(thiophen-2-ylmethyl)oxamide (CID 2891396) is N'-phenyl-N-(thiophen-2-ylmethyl)oxamide.
What is the SMILES notation for N'-phenyl-N-(thiophen-2-ylmethyl)oxamide?
The canonical SMILES for N'-phenyl-N-(thiophen-2-ylmethyl)oxamide is O=C(NCc1cccs1)C(=O)Nc1ccccc1.
What is the InChIKey of N'-phenyl-N-(thiophen-2-ylmethyl)oxamide?
The InChIKey is SIEWQPLFFGQRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c16-12(14-9-11-7-4-8-18-11)13(17)15-10-5-2-1-3-6-10/h1-8H,9H2,(H,14,16)(H,15,17).
What are the key properties of N'-phenyl-N-(thiophen-2-ylmethyl)oxamide?
N'-phenyl-N-(thiophen-2-ylmethyl)oxamide has a molecular weight of 260.32 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-phenyl-N-(thiophen-2-ylmethyl)oxamide is sourced from PubChem (CID 2891396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).