2-amino-5-nitro-N-(2-thiophen-2-ylethyl)benzamide

C13H13N3O3S — CID 62072619

IUPAC2-amino-5-nitro-N-(2-thiophen-2-ylethyl)benzamide
SMILESNc1ccc([N+](=O)[O-])cc1C(=O)NCCc1cccs1
InChIInChI=1S/C13H13N3O3S/c14-12-4-3-9(16(18)19)8-11(12)13(17)15-6-5-10-2-1-7-20-10/h1-4,7-8H,5-6,14H2,(H,15,17)
InChIKeyQYGFJMDFNMIUJX-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.21
Rot. Bonds5

About 2-amino-5-nitro-N-(2-thiophen-2-ylethyl)benzamide

2-amino-5-nitro-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 62072619) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-amino-5-nitro-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name2-amino-5-nitro-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID62072619
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC Name2-amino-5-nitro-N-(2-thiophen-2-ylethyl)benzamide
SMILESNc1ccc([N+](=O)[O-])cc1C(=O)NCCc1cccs1
InChIInChI=1S/C13H13N3O3S/c14-12-4-3-9(16(18)19)8-11(12)13(17)15-6-5-10-2-1-7-20-10/h1-4,7-8H,5-6,14H2,(H,15,17)
InChIKeyQYGFJMDFNMIUJX-UHFFFAOYSA-N
XLogP2.21
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-nitro-2-piperidin-1-yl-N-(2-thiophen-2-ylethyl)benzamide
CID 26313236
2-chloro-5-nitro-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 103803074
2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-5-nitrobenzamide
CID 104877746
2-amino-4-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 16787707
2-amino-5-nitro-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 62144010
2-amino-N-[2-(methanesulfonamido)ethyl]-5-nitrobenzamide
CID 62155328
2-amino-N-(3-methylsulfanylpropyl)-5-nitrobenzamide
CID 63961663
3-amino-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 61090030
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-amino-4-nitrobenzoate
CID 7148954
3-amino-2,6-difluoro-N-(2-thiophen-2-ylethyl)benzamide
CID 79773779
2-bromo-N-methyl-5-nitro-N-(2-thiophen-2-ylethyl)benzamide
CID 79046945
2-(2-formyl-4-nitrophenoxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 8951874

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-nitro-N-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 2-amino-5-nitro-N-(2-thiophen-2-ylethyl)benzamide (CID 62072619) is 2-amino-5-nitro-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 2-amino-5-nitro-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 2-amino-5-nitro-N-(2-thiophen-2-ylethyl)benzamide is Nc1ccc([N+](=O)[O-])cc1C(=O)NCCc1cccs1.
What is the InChIKey of 2-amino-5-nitro-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is QYGFJMDFNMIUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c14-12-4-3-9(16(18)19)8-11(12)13(17)15-6-5-10-2-1-7-20-10/h1-4,7-8H,5-6,14H2,(H,15,17).
What are the key properties of 2-amino-5-nitro-N-(2-thiophen-2-ylethyl)benzamide?
2-amino-5-nitro-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 291.33 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-nitro-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 62072619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).