N-(2-nitrophenyl)-3-thiophen-2-ylbenzamide

C17H12N2O3S — CID 4862006

IUPACN-(2-nitrophenyl)-3-thiophen-2-ylbenzamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])c1cccc(-c2cccs2)c1
InChIInChI=1S/C17H12N2O3S/c20-17(18-14-7-1-2-8-15(14)19(21)22)13-6-3-5-12(11-13)16-9-4-10-23-16/h1-11H,(H,18,20)
InChIKeyOUIIMOOPYBBPHJ-UHFFFAOYSA-N
MW324.36 g/mol
LogP4.58
Rot. Bonds4

About N-(2-nitrophenyl)-3-thiophen-2-ylbenzamide

N-(2-nitrophenyl)-3-thiophen-2-ylbenzamide (PubChem CID 4862006) has the molecular formula C17H12N2O3S and a molecular weight of 324.36 g/mol. Its IUPAC name is N-(2-nitrophenyl)-3-thiophen-2-ylbenzamide.

Molecular Properties

Compound NameN-(2-nitrophenyl)-3-thiophen-2-ylbenzamide
PubChem CID4862006
Molecular FormulaC17H12N2O3S
Molecular Weight324.36 g/mol
Exact Mass324.06
IUPAC NameN-(2-nitrophenyl)-3-thiophen-2-ylbenzamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])c1cccc(-c2cccs2)c1
InChIInChI=1S/C17H12N2O3S/c20-17(18-14-7-1-2-8-15(14)19(21)22)13-6-3-5-12(11-13)16-9-4-10-23-16/h1-11H,(H,18,20)
InChIKeyOUIIMOOPYBBPHJ-UHFFFAOYSA-N
XLogP4.58
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

N-(2-nitro-4-thiophen-2-ylphenyl)benzamide
CID 91406770
4-isocyano-N-(2-nitro-5-thiophen-2-ylphenyl)benzamide
CID 59736694
N-(2-nitro-4-thiophen-2-ylphenyl)acetamide
CID 110477271
N-(4-bromophenyl)-3-thiophen-2-ylbenzamide
CID 4862004
4-iodo-N-(2-nitrophenyl)benzamide
CID 2889506
N-(3-nitrophenyl)-4-thiophen-2-ylbenzamide
CID 4730837
4-bromo-N-(2-nitrophenyl)benzamide
CID 139086571
N-(2-nitrophenyl)-3-phenylmethoxybenzamide
CID 23854961
3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide
CID 4118809
N-(2-nitrophenyl)benzamide;2-oxo-2-(sulfonylamino)acetic acid
CID 159771520
2-bromo-N-(2-nitrophenyl)pyridine-4-carboxamide
CID 114037408
1-N,3-N-bis(2,4-dinitrophenyl)benzene-1,3-dicarboxamide
CID 628714

Frequently Asked Questions

What is the IUPAC name of N-(2-nitrophenyl)-3-thiophen-2-ylbenzamide?
The IUPAC name of N-(2-nitrophenyl)-3-thiophen-2-ylbenzamide (CID 4862006) is N-(2-nitrophenyl)-3-thiophen-2-ylbenzamide.
What is the SMILES notation for N-(2-nitrophenyl)-3-thiophen-2-ylbenzamide?
The canonical SMILES for N-(2-nitrophenyl)-3-thiophen-2-ylbenzamide is O=C(Nc1ccccc1[N+](=O)[O-])c1cccc(-c2cccs2)c1.
What is the InChIKey of N-(2-nitrophenyl)-3-thiophen-2-ylbenzamide?
The InChIKey is OUIIMOOPYBBPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3S/c20-17(18-14-7-1-2-8-15(14)19(21)22)13-6-3-5-12(11-13)16-9-4-10-23-16/h1-11H,(H,18,20).
What are the key properties of N-(2-nitrophenyl)-3-thiophen-2-ylbenzamide?
N-(2-nitrophenyl)-3-thiophen-2-ylbenzamide has a molecular weight of 324.36 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitrophenyl)-3-thiophen-2-ylbenzamide is sourced from PubChem (CID 4862006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).