N-(4-aminothiophen-3-yl)-4-nitrobenzamide

C11H9N3O3S — CID 139816874

IUPACN-(4-aminothiophen-3-yl)-4-nitrobenzamide
SMILESNc1cscc1NC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H9N3O3S/c12-9-5-18-6-10(9)13-11(15)7-1-3-8(4-2-7)14(16)17/h1-6H,12H2,(H,13,15)
InChIKeyOTEOCCBJUTXLHZ-UHFFFAOYSA-N
MW263.28 g/mol
LogP2.49
Rot. Bonds3

About N-(4-aminothiophen-3-yl)-4-nitrobenzamide

N-(4-aminothiophen-3-yl)-4-nitrobenzamide (PubChem CID 139816874) has the molecular formula C11H9N3O3S and a molecular weight of 263.28 g/mol. Its IUPAC name is N-(4-aminothiophen-3-yl)-4-nitrobenzamide.

Molecular Properties

Compound NameN-(4-aminothiophen-3-yl)-4-nitrobenzamide
PubChem CID139816874
Molecular FormulaC11H9N3O3S
Molecular Weight263.28 g/mol
Exact Mass263.04
IUPAC NameN-(4-aminothiophen-3-yl)-4-nitrobenzamide
SMILESNc1cscc1NC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H9N3O3S/c12-9-5-18-6-10(9)13-11(15)7-1-3-8(4-2-7)14(16)17/h1-6H,12H2,(H,13,15)
InChIKeyOTEOCCBJUTXLHZ-UHFFFAOYSA-N
XLogP2.49
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

3-[(4-nitrobenzoyl)amino]thiophene-2-carboxamide
CID 141467383
N-(4-amino-2-nitrophenyl)-4-nitrobenzamide
CID 3089914
N-(2-amino-4-nitrophenyl)-4-methylbenzamide
CID 3538621
2-amino-5-[(4-nitrobenzoyl)amino]benzene-1,4-disulfonic acid
CID 23336095
N-(2-acetamidophenyl)-4-nitrobenzamide
CID 3737317
N-(4-amino-3-methylphenyl)-4-nitrobenzamide
CID 147874410
N-(5-hydroxy-2-methylphenyl)-4-nitrobenzamide
CID 141373878
5-hydroxy-2-[(4-nitrobenzoyl)amino]benzoic acid
CID 4982404
4-nitro-N-[6-[(4-nitrobenzoyl)amino]-2-pyridinyl]benzamide
CID 4320566
4-nitrobenzohydrazide;hydrochloride
CID 172718286
N-(3-amino-4-fluorophenyl)-4-nitrobenzamide
CID 63257606
N-(3-amino-4-pyridinyl)-4-[[(4-nitrophenyl)methylcarbamoylamino]methyl]benzamide
CID 44594969

Frequently Asked Questions

What is the IUPAC name of N-(4-aminothiophen-3-yl)-4-nitrobenzamide?
The IUPAC name of N-(4-aminothiophen-3-yl)-4-nitrobenzamide (CID 139816874) is N-(4-aminothiophen-3-yl)-4-nitrobenzamide.
What is the SMILES notation for N-(4-aminothiophen-3-yl)-4-nitrobenzamide?
The canonical SMILES for N-(4-aminothiophen-3-yl)-4-nitrobenzamide is Nc1cscc1NC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(4-aminothiophen-3-yl)-4-nitrobenzamide?
The InChIKey is OTEOCCBJUTXLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3S/c12-9-5-18-6-10(9)13-11(15)7-1-3-8(4-2-7)14(16)17/h1-6H,12H2,(H,13,15).
What are the key properties of N-(4-aminothiophen-3-yl)-4-nitrobenzamide?
N-(4-aminothiophen-3-yl)-4-nitrobenzamide has a molecular weight of 263.28 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminothiophen-3-yl)-4-nitrobenzamide is sourced from PubChem (CID 139816874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).