N-(3,5-dinitrothiophen-2-yl)benzamide

C11H7N3O5S — CID 46891396

IUPACN-(3,5-dinitrothiophen-2-yl)benzamide
SMILESO=C(Nc1sc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C11H7N3O5S/c15-10(7-4-2-1-3-5-7)12-11-8(13(16)17)6-9(20-11)14(18)19/h1-6H,(H,12,15)
InChIKeyFEXIACXVSOXNIR-UHFFFAOYSA-N
MW293.26 g/mol
LogP2.82
Rot. Bonds4

About N-(3,5-dinitrothiophen-2-yl)benzamide

N-(3,5-dinitrothiophen-2-yl)benzamide (PubChem CID 46891396) has the molecular formula C11H7N3O5S and a molecular weight of 293.26 g/mol. Its IUPAC name is N-(3,5-dinitrothiophen-2-yl)benzamide.

Molecular Properties

Compound NameN-(3,5-dinitrothiophen-2-yl)benzamide
PubChem CID46891396
Molecular FormulaC11H7N3O5S
Molecular Weight293.26 g/mol
Exact Mass293.01
IUPAC NameN-(3,5-dinitrothiophen-2-yl)benzamide
SMILESO=C(Nc1sc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C11H7N3O5S/c15-10(7-4-2-1-3-5-7)12-11-8(13(16)17)6-9(20-11)14(18)19/h1-6H,(H,12,15)
InChIKeyFEXIACXVSOXNIR-UHFFFAOYSA-N
XLogP2.82
TPSA115.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.26
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dinitrothiophen-2-yl)benzamide?
The IUPAC name of N-(3,5-dinitrothiophen-2-yl)benzamide (CID 46891396) is N-(3,5-dinitrothiophen-2-yl)benzamide.
What is the SMILES notation for N-(3,5-dinitrothiophen-2-yl)benzamide?
The canonical SMILES for N-(3,5-dinitrothiophen-2-yl)benzamide is O=C(Nc1sc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of N-(3,5-dinitrothiophen-2-yl)benzamide?
The InChIKey is FEXIACXVSOXNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O5S/c15-10(7-4-2-1-3-5-7)12-11-8(13(16)17)6-9(20-11)14(18)19/h1-6H,(H,12,15).
What are the key properties of N-(3,5-dinitrothiophen-2-yl)benzamide?
N-(3,5-dinitrothiophen-2-yl)benzamide has a molecular weight of 293.26 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dinitrothiophen-2-yl)benzamide is sourced from PubChem (CID 46891396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).