N',N'-dithiophen-2-yloxamide

C10H8N2O2S2 — CID 175222519

IUPACN',N'-dithiophen-2-yloxamide
SMILESNC(=O)C(=O)N(c1cccs1)c1cccs1
InChIInChI=1S/C10H8N2O2S2/c11-9(13)10(14)12(7-3-1-5-15-7)8-4-2-6-16-8/h1-6H,(H2,11,13)
InChIKeyGVNAHGZJOFQIJO-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.96
Rot. Bonds2

About N',N'-dithiophen-2-yloxamide

N',N'-dithiophen-2-yloxamide (PubChem CID 175222519) has the molecular formula C10H8N2O2S2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N',N'-dithiophen-2-yloxamide.

Molecular Properties

Compound NameN',N'-dithiophen-2-yloxamide
PubChem CID175222519
Molecular FormulaC10H8N2O2S2
Molecular Weight252.32 g/mol
Exact Mass252.00
IUPAC NameN',N'-dithiophen-2-yloxamide
SMILESNC(=O)C(=O)N(c1cccs1)c1cccs1
InChIInChI=1S/C10H8N2O2S2/c11-9(13)10(14)12(7-3-1-5-15-7)8-4-2-6-16-8/h1-6H,(H2,11,13)
InChIKeyGVNAHGZJOFQIJO-UHFFFAOYSA-N
XLogP1.96
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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',N'-dithiophen-2-yloxamide?
The IUPAC name of N',N'-dithiophen-2-yloxamide (CID 175222519) is N',N'-dithiophen-2-yloxamide.
What is the SMILES notation for N',N'-dithiophen-2-yloxamide?
The canonical SMILES for N',N'-dithiophen-2-yloxamide is NC(=O)C(=O)N(c1cccs1)c1cccs1.
What is the InChIKey of N',N'-dithiophen-2-yloxamide?
The InChIKey is GVNAHGZJOFQIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S2/c11-9(13)10(14)12(7-3-1-5-15-7)8-4-2-6-16-8/h1-6H,(H2,11,13).
What are the key properties of N',N'-dithiophen-2-yloxamide?
N',N'-dithiophen-2-yloxamide has a molecular weight of 252.32 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dithiophen-2-yloxamide is sourced from PubChem (CID 175222519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).