N'-(3-thiophen-2-ylphenyl)oxamide

C12H10N2O2S — CID 151856111

IUPACN'-(3-thiophen-2-ylphenyl)oxamide
SMILESNC(=O)C(=O)Nc1cccc(-c2cccs2)c1
InChIInChI=1S/C12H10N2O2S/c13-11(15)12(16)14-9-4-1-3-8(7-9)10-5-2-6-17-10/h1-7H,(H2,13,15)(H,14,16)
InChIKeySJSIPMJPLZVOSX-UHFFFAOYSA-N
MW246.29 g/mol
LogP1.84
Rot. Bonds2

About N'-(3-thiophen-2-ylphenyl)oxamide

N'-(3-thiophen-2-ylphenyl)oxamide (PubChem CID 151856111) has the molecular formula C12H10N2O2S and a molecular weight of 246.29 g/mol. Its IUPAC name is N'-(3-thiophen-2-ylphenyl)oxamide.

Molecular Properties

Compound NameN'-(3-thiophen-2-ylphenyl)oxamide
PubChem CID151856111
Molecular FormulaC12H10N2O2S
Molecular Weight246.29 g/mol
Exact Mass246.05
IUPAC NameN'-(3-thiophen-2-ylphenyl)oxamide
SMILESNC(=O)C(=O)Nc1cccc(-c2cccs2)c1
InChIInChI=1S/C12H10N2O2S/c13-11(15)12(16)14-9-4-1-3-8(7-9)10-5-2-6-17-10/h1-7H,(H2,13,15)(H,14,16)
InChIKeySJSIPMJPLZVOSX-UHFFFAOYSA-N
XLogP1.84
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 51.84
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-thiophen-2-ylphenyl)oxamide?
The IUPAC name of N'-(3-thiophen-2-ylphenyl)oxamide (CID 151856111) is N'-(3-thiophen-2-ylphenyl)oxamide.
What is the SMILES notation for N'-(3-thiophen-2-ylphenyl)oxamide?
The canonical SMILES for N'-(3-thiophen-2-ylphenyl)oxamide is NC(=O)C(=O)Nc1cccc(-c2cccs2)c1.
What is the InChIKey of N'-(3-thiophen-2-ylphenyl)oxamide?
The InChIKey is SJSIPMJPLZVOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2S/c13-11(15)12(16)14-9-4-1-3-8(7-9)10-5-2-6-17-10/h1-7H,(H2,13,15)(H,14,16).
What are the key properties of N'-(3-thiophen-2-ylphenyl)oxamide?
N'-(3-thiophen-2-ylphenyl)oxamide has a molecular weight of 246.29 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-thiophen-2-ylphenyl)oxamide is sourced from PubChem (CID 151856111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).