3-thiophen-3-ylbenzene-1,2-dicarboxamide

C12H10N2O2S — CID 174964075

IUPAC3-thiophen-3-ylbenzene-1,2-dicarboxamide
SMILESNC(=O)c1cccc(-c2ccsc2)c1C(N)=O
InChIInChI=1S/C12H10N2O2S/c13-11(15)9-3-1-2-8(10(9)12(14)16)7-4-5-17-6-7/h1-6H,(H2,13,15)(H2,14,16)
InChIKeyBFJKUWPVJWUYBT-UHFFFAOYSA-N
MW246.29 g/mol
LogP1.61
Rot. Bonds3

About 3-thiophen-3-ylbenzene-1,2-dicarboxamide

3-thiophen-3-ylbenzene-1,2-dicarboxamide (PubChem CID 174964075) has the molecular formula C12H10N2O2S and a molecular weight of 246.29 g/mol. Its IUPAC name is 3-thiophen-3-ylbenzene-1,2-dicarboxamide.

Molecular Properties

Compound Name3-thiophen-3-ylbenzene-1,2-dicarboxamide
PubChem CID174964075
Molecular FormulaC12H10N2O2S
Molecular Weight246.29 g/mol
Exact Mass246.05
IUPAC Name3-thiophen-3-ylbenzene-1,2-dicarboxamide
SMILESNC(=O)c1cccc(-c2ccsc2)c1C(N)=O
InChIInChI=1S/C12H10N2O2S/c13-11(15)9-3-1-2-8(10(9)12(14)16)7-4-5-17-6-7/h1-6H,(H2,13,15)(H2,14,16)
InChIKeyBFJKUWPVJWUYBT-UHFFFAOYSA-N
XLogP1.61
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-3-ylbenzene-1,2-dicarboxamide?
The IUPAC name of 3-thiophen-3-ylbenzene-1,2-dicarboxamide (CID 174964075) is 3-thiophen-3-ylbenzene-1,2-dicarboxamide.
What is the SMILES notation for 3-thiophen-3-ylbenzene-1,2-dicarboxamide?
The canonical SMILES for 3-thiophen-3-ylbenzene-1,2-dicarboxamide is NC(=O)c1cccc(-c2ccsc2)c1C(N)=O.
What is the InChIKey of 3-thiophen-3-ylbenzene-1,2-dicarboxamide?
The InChIKey is BFJKUWPVJWUYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2S/c13-11(15)9-3-1-2-8(10(9)12(14)16)7-4-5-17-6-7/h1-6H,(H2,13,15)(H2,14,16).
What are the key properties of 3-thiophen-3-ylbenzene-1,2-dicarboxamide?
3-thiophen-3-ylbenzene-1,2-dicarboxamide has a molecular weight of 246.29 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-3-ylbenzene-1,2-dicarboxamide is sourced from PubChem (CID 174964075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).