N-(2-nitro-4-thiophen-2-ylphenyl)benzamide

C17H12N2O3S — CID 91406770

IUPACN-(2-nitro-4-thiophen-2-ylphenyl)benzamide
SMILESO=C(Nc1ccc(-c2cccs2)cc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C17H12N2O3S/c20-17(12-5-2-1-3-6-12)18-14-9-8-13(11-15(14)19(21)22)16-7-4-10-23-16/h1-11H,(H,18,20)
InChIKeyGNUZNNGILLKMFQ-UHFFFAOYSA-N
MW324.36 g/mol
LogP4.58
Rot. Bonds4

About N-(2-nitro-4-thiophen-2-ylphenyl)benzamide

N-(2-nitro-4-thiophen-2-ylphenyl)benzamide (PubChem CID 91406770) has the molecular formula C17H12N2O3S and a molecular weight of 324.36 g/mol. Its IUPAC name is N-(2-nitro-4-thiophen-2-ylphenyl)benzamide.

Molecular Properties

Compound NameN-(2-nitro-4-thiophen-2-ylphenyl)benzamide
PubChem CID91406770
Molecular FormulaC17H12N2O3S
Molecular Weight324.36 g/mol
Exact Mass324.06
IUPAC NameN-(2-nitro-4-thiophen-2-ylphenyl)benzamide
SMILESO=C(Nc1ccc(-c2cccs2)cc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C17H12N2O3S/c20-17(12-5-2-1-3-6-12)18-14-9-8-13(11-15(14)19(21)22)16-7-4-10-23-16/h1-11H,(H,18,20)
InChIKeyGNUZNNGILLKMFQ-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)acetamide
CID 110477271
N-(2-nitrophenyl)-3-thiophen-2-ylbenzamide
CID 4862006
4-isocyano-N-(2-nitro-5-thiophen-2-ylphenyl)benzamide
CID 59736694
N-(4-iodo-2-nitrophenyl)benzamide
CID 177460424
N-(3-nitrophenyl)-4-thiophen-2-ylbenzamide
CID 4730837
2-(3-nitro-4-thiophen-2-ylphenyl)thiophene
CID 22765600
N-(2-hydroxyphenyl)-4-thiophen-2-ylbenzamide
CID 944599
N-(2,3-dimethyl-4-nitrophenyl)benzamide
CID 156690206
3-nitro-4-(pyridine-4-carbonylamino)benzoic acid
CID 60846267
N-(2,6-dimethyl-4-thiophen-2-ylphenyl)benzamide
CID 68907909
N-(2-amino-5-thiophen-2-ylphenyl)-4-(phenylsulfonimidoyl)benzamide
CID 168792402
N-(2-amino-5-thiophen-2-ylphenyl)-4-(benzamidomethyl)benzamide
CID 25157373

Frequently Asked Questions

What is the IUPAC name of N-(2-nitro-4-thiophen-2-ylphenyl)benzamide?
The IUPAC name of N-(2-nitro-4-thiophen-2-ylphenyl)benzamide (CID 91406770) is N-(2-nitro-4-thiophen-2-ylphenyl)benzamide.
What is the SMILES notation for N-(2-nitro-4-thiophen-2-ylphenyl)benzamide?
The canonical SMILES for N-(2-nitro-4-thiophen-2-ylphenyl)benzamide is O=C(Nc1ccc(-c2cccs2)cc1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of N-(2-nitro-4-thiophen-2-ylphenyl)benzamide?
The InChIKey is GNUZNNGILLKMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3S/c20-17(12-5-2-1-3-6-12)18-14-9-8-13(11-15(14)19(21)22)16-7-4-10-23-16/h1-11H,(H,18,20).
What are the key properties of N-(2-nitro-4-thiophen-2-ylphenyl)benzamide?
N-(2-nitro-4-thiophen-2-ylphenyl)benzamide 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-nitro-4-thiophen-2-ylphenyl)benzamide is sourced from PubChem (CID 91406770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).